Compound Identification
SMILES
CCN(CC)C1=CC=C(C=NNC(=O)C(C)NC(=O)C2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=LZXQAPZHRUMHGH-UHFFFAOYSA-N
Formula
C21H25BrN4O2
Mass
445.361
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
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
-
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 Alanine and derivatives 2-halobenzoic acids and derivatives Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Bromobenzenes Aryl bromides Vinylogous halides Secondary carboxylic acid amides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Tertiary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organobromide - 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