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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL269644
CHEMBL269644
Compound Name ACETANILIDE
ChEMBL Synonyms ANTIFEBRIN | Acetanilide
Max Phase 0
Trade Names
Molecular Formula C8H9NO

Additional synonyms for CHEMBL269644 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1ccccc1
Standard InChI InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
Standard InChI Key FZERHIULMFGESH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL269644

Molecule Features

CHEMBL269644 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ACETANILIDE
The Cochrane Collaboration ACETANILIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
135.2 135.0684 1.64 1 29.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .51 1.24 1.24 1 10 0.62

Structural Alerts

There are no structural alerts for CHEMBL269644

Compound Cross References

ChemSpider ChemSpider:FZERHIULMFGESH-UHFFFAOYSA-N
PubChem SID: 144204664 SID: 144208123 SID: 170465493 SID: 17389551
Wikipedia Acetanilide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL269644



ACToR 61377-32-0 103-84-4 15826-91-2
Brenda 111342 36659 61078 5924 61198
ChEBI 28884
ChemicalBook CB9444812
DrugCentral 54
eMolecules 474182
EPA CompTox Dashboard DTXSID2022543
FDA SRS SP86R356CC
Human Metabolome Database HMDB0001250
IBM Patent System 73DEBEE6423DDD31A4AD5DD85BE8D37A
KEGG Ligand C07565
Mcule MCULE-1268638727
MolPort MolPort-000-564-428
Nikkaji J4.023A
NMRShiftDB 10008884
PubChem 904
PubChem: Thomson Pharma 16935419
Selleck Acetanilide-Antifebrin
SureChEMBL SCHEMBL24681
ZINC ZINC000000142824

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FZERHIULMFGESH-UHFFFAOYSA-N spacer
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