Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)CNC(=O)C1=CC=CC=C1F
InChIKey
InChIKey=PWXHZGJPUAOZTG-UHFFFAOYSA-N
Formula
C21H22FN3O3
Mass
383.423
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alkyl-phenylketones N-acyl-alpha amino acids and derivatives Phenylpiperazines Alpha amino acid amides N-arylpiperazines 2-halobenzoic acids and derivatives Acetophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Vinylogous halides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - 1,4-diazinane - Piperazine - Aryl fluoride - Aryl halide - Vinylogous halide - Tertiary carboxylic acid amide - Amino acid or derivatives - Ketone - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Amine - Organic oxide - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available