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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9240
CHEMBL9240
Compound Name
ChEMBL Synonyms N-(Trideuteriomethyl)Formamide | N-Methyl-Formamide
Max Phase 0
Trade Names
Molecular Formula C2H5NO

Additional synonyms for CHEMBL9240 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC=O
Standard InChI InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
Standard InChI Key ATHHXGZTWNVVOU-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL9240. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL9240

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
59.1 59.0371 -0.71 0 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
- - -2.06 -2.06 0 4 0.37

Compound Cross References

ChemSpider ChemSpider:ATHHXGZTWNVVOU-UHFFFAOYSA-N
PubChem SID: 69606
Wikipedia N-Methylformamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9240



ACToR 123-39-7
Atlas n-methylformamide
ChEBI 7438
eMolecules 512557
FDA SRS XPE4G7Y986
Human Metabolome Database HMDB01122
KEGG Ligand C11489
Mcule MCULE-4739122677
MolPort MolPort-003-934-095
Nikkaji J2.498H
NMRShiftDB 10008578 10026573 10026572
PubChem 31254
PubChem: Drugs of the Future 12013691
PubChem: Thomson Pharma 14940402
SureChEMBL SCHEMBL1936
ZINC ZINC08214610

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