Compound Identification
SMILES
ClC1=CC=CC=C1C(=O)NC1=NNC(C(=O)NC2CCN(CC3=CC=CC=C3)C2)=C1Br
InChIKey
InChIKey=SGAQTOBXGRMFSB-UHFFFAOYSA-N
Formula
C22H21BrClN5O2
Mass
502.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Benzylamines Pyrazole-5-carboxamides Phenylmethylamines 2-heteroaryl carboxamides Chlorobenzenes Aralkylamines Aryl bromides N-alkylpyrrolidines Imidolactams Aryl chlorides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Benzoyl - Benzylamine - Phenylmethylamine - Pyrazole-5-carboxamide - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Imidolactam - N-alkylpyrrolidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Vinylogous halide - Azole - Pyrrolidine - Pyrazole - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available