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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

Sources

  • PubChem BioAssays
  • Scientific Literature

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

Structural Alerts

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

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
Brenda 44528 45674
ChEBI 7438
eMolecules 512557
EPA CompTox Dashboard DTXSID0025608
FDA SRS XPE4G7Y986
Human Metabolome Database HMDB0001122
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 ZINC000008214610

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