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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:29 UTC
Update Date2025-03-25 01:00:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241204
Frequency0.5
Structure
Chemical FormulaC11H11F3N2O2
Molecular Mass260.0773
SMILESCC(=O)NCC(=O)Nc1cccc(C(F)(F)F)c1
InChI KeyWRLLCYATZXJPOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent n-acyl-alpha amino acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl fluorides
  • alpha amino acid amides
  • alpha amino acids
  • anilides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • trifluoromethylbenzenes
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • n-arylamide
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alkyl halide
  • trifluoromethylbenzene
  • acetamide
  • alpha-amino acid amide
  • n-acyl-alpha-amino acid
  • alkyl fluoride
  • organofluoride
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound