Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CCN(CC1)C(=O)C(CO)NC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=FRPTVABICICAHG-UHFFFAOYSA-N
Formula
C29H28F3N3O4
Mass
539.555
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 Alpha amino acid amides Phenylpiperazines Biphenyls and derivatives N-arylpiperazines Trifluoromethylbenzenes Acetophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Alkyl fluorides Organofluorides Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Biphenyl - Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Acetophenone - Phenylketone - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Piperazine - 1,4-diazinane - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Alcohol - Organohalogen compound - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Amine - Alkyl halide - Organooxygen compound - Alkyl fluoride - Primary alcohol - Organic oxygen compound - 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