Compound Identification
SMILES
CC(NC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)NC1=NN=C(S1)C1=CC(C)=CC=C1
InChIKey
InChIKey=JCNXGEZOYCEXAC-UHFFFAOYSA-N
Formula
C21H16F6N4O2S
Mass
502.44
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 Alanine and derivatives Trifluoromethylbenzenes Benzoyl derivatives N-arylamides Toluenes Heteroaromatic compounds Thiadiazoles Secondary carboxylic acid amides Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Benzoyl - N-arylamide - Toluene - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - 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