Compound Identification
SMILES
CC1=C(CCNC(=O)C(NC(=O)C2=CC=C(Br)C=C2)=CC2=CC=C(Cl)C=C2)C2=CC=CC=C2N1
InChIKey
InChIKey=MHXFVNRYPBAQOO-UHFFFAOYSA-N
Formula
C27H23BrClN3O2
Mass
536.85
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 Cinnamic acid amides 3-alkylindoles 4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Bromobenzenes Substituted pyrroles Aryl bromides Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl bromide - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organobromide - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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