Compound Identification
SMILES
FC(F)(F)C1=CC=CC(=C1)C(=O)NCC(=O)N[C@@H]1CCN(C1)C1CCN(CC1)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=UDPDEQCVAFQURP-HXUWFJFHSA-N
Formula
C25H28ClF3N4O2
Mass
508.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
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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
N-acyl-alpha amino acids and derivatives Phenylpiperidines Alpha amino acid amides Trifluoromethylbenzenes Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aminopiperidines Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylpiperidine - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - 4-aminopiperidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organochloride - Amine - Organic oxide - Organooxygen compound - Organofluoride - 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