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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:04 UTC
Update Date2025-03-21 18:36:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110524
Frequency24.1
Structure
Chemical FormulaC10H12Cl2N2O
Molecular Mass246.0327
SMILESCCNCC(=O)Nc1ccc(Cl)cc1Cl
InChI KeyVBOORRPBJGSNCF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • anilides
  • aryl chlorides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • dichlorobenzenes
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • organochloride
  • n-arylamide
  • organohalogen compound
  • 1,3-dichlorobenzene
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • aryl chloride
  • chlorobenzene
  • secondary aliphatic amine
  • alpha-amino acid amide
  • secondary amine
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound
  • amine