Compound Identification
SMILES
CC1=C(NC(N)=O)C=C(CN2CCC(C2)NC(=O)CNC(=O)C2=C(N)C=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=ATDHBWBXVGMBFT-UHFFFAOYSA-N
Formula
C23H27F3N6O3
Mass
492.503
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides 2-aminobenzamides Trifluoromethylbenzenes Anthranilamides N-phenylureas Aniline and substituted anilines Phenylmethylamines Benzoyl derivatives Benzylamines Toluenes Aralkylamines N-alkylpyrrolidines Vinylogous amides Ureas Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organofluorides Primary amines Alkyl fluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - N-phenylurea - Anthranilamide - N-substituted-alpha-amino acid - 2-aminobenzamide - Aminobenzoic acid or derivatives - Aminobenzamide - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Aniline or substituted anilines - Phenylmethylamine - Benzylamine - Benzoyl - Aralkylamine - Toluene - N-alkylpyrrolidine - Vinylogous amide - Pyrrolidine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Urea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl halide - Organohalogen compound - Carbonyl group - Alkyl fluoride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - 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