NAV

Clefamide

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Clefamide
DrugBank Accession Number
DB13512
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 399.22
Monoisotopic: 398.043627
Chemical Formula
C17H16Cl2N2O5
Synonyms
  • Clefamide
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
P01AC02 — Clefamide
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylethers
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers / Nitrobenzenes / Nitroaromatic compounds / Phenoxy compounds / Phenol ethers / Tertiary carboxylic acid amides / Alkanolamines / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Organic oxides
show 7 more
Substituents
Alcohol / Alkanolamine / Alkyl chloride / Alkyl halide / Allyl-type 1,3-dipolar organic compound / Aromatic homomonocyclic compound / C-nitro compound / Carbonyl group / Carboxamide group / Carboxylic acid derivative
show 23 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4AZ2V8K4EK
CAS number
3576-64-5
InChI Key
ODCUSWJXZDHLKV-UHFFFAOYSA-N
InChI
InChI=1S/C17H16Cl2N2O5/c18-16(19)17(23)20(9-10-22)11-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)21(24)25/h1-8,16,22H,9-11H2
IUPAC Name
2,2-dichloro-N-(2-hydroxyethyl)-N-{[4-(4-nitrophenoxy)phenyl]methyl}acetamide
SMILES
OCCN(CC1=CC=C(OC2=CC=C(C=C2)N(=O)=O)C=C1)C(=O)C(Cl)Cl

References

General References
Not Available
ChemSpider
64843
ChEBI
135963
ChEMBL
CHEMBL1788400
ZINC
ZINC000000608263
Wikipedia
Clefamide

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00872 mg/mLALOGPS
logP3.29ALOGPS
logP3.17Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)15.54Chemaxon
pKa (Strongest Basic)-2.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area95.59 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity98.71 m3·mol-1Chemaxon
Polarizability37.14 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-185.84041
predicted
DeepCCS 1.0 (2019)
[M+H]+188.46696
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.01642
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at February 21, 2021 18:54