Compound Identification
SMILES
CCOC(=O)C(NC(=O)C1=CC(F)=CC=C1)(NC1=CC=CC=C1C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=XDRCSVWLKPJLLY-UHFFFAOYSA-N
Formula
C19H15F7N2O3
Mass
452.329
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 Trifluoromethylbenzenes 3-halobenzoic acids and derivatives Phenylalkylamines Benzoyl derivatives Secondary alkylarylamines Fluorobenzenes Aryl fluorides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Phenylalkylamine - Benzoyl - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Alkyl fluoride - Amine - Organopnictogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic 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