Compound Identification
SMILES
NC(=O)NC1=C(Cl)C=CC(CN2CC[C@H](C2)NC(=O)CNC(=O)C2=C(N)C=CC(=C2)C(F)(F)F)=C1
InChIKey
InChIKey=UJRWHQXUJHFCAG-CQSZACIVSA-N
Formula
C22H24ClF3N6O3
Mass
512.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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 Alpha amino acid amides 2-aminobenzamides Trifluoromethylbenzenes Anthranilamides N-phenylureas Aniline and substituted anilines Benzoyl derivatives Benzylamines Phenylmethylamines Chlorobenzenes Aralkylamines N-alkylpyrrolidines Aryl chlorides Vinylogous amides Secondary carboxylic acid amides Ureas Trialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Anthranilamide - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - N-phenylurea - Phenylmethylamine - Aniline or substituted anilines - Benzoyl - Benzylamine - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - Organohalogen 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