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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276727
CHEMBL276727
Compound Name IODOACETAMIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H4INO

Additional synonyms for CHEMBL276727 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)CI
Standard InChI InChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
Standard InChI Key PGLTVOMIXTUURA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL276727

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
185 184.9338 0.38 1 43.09 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.19 -.19 0 5 0.47

Structural Alerts

There are 14 structural alerts for CHEMBL276727. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PGLTVOMIXTUURA-UHFFFAOYSA-N
PubChem SID: 11111313 SID: 144207412 SID: 50106371 SID: 85231089 SID: 90341000
Wikipedia Iodoacetamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276727



ACToR 144-48-9
BindingDB 50376514
Brenda 8361 67 30193 7101 5557
eMolecules 523145
EPA CompTox Dashboard DTXSID9020742
FDA SRS ZRH8M27S79
Guide to Pharmacology 6271
IBM Patent System 69496AF2C457EEFC0F72B6E6F742BA4D
Mcule MCULE-4217973413
MolPort MolPort-000-156-430
Nikkaji J3.270K
NMRShiftDB 20181922
PubChem 3727
PubChem: Thomson Pharma 15389219
SureChEMBL SCHEMBL20371
ZINC ZINC000003860523

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