Compound Identification
SMILES
CC1=C(NC(=O)CCC(=O)NNC(=O)C2=CC(Br)=C(C=C2)C(C)(C)C)C=CC=C1Cl
InChIKey
InChIKey=MXMIHDIHZRWKJY-UHFFFAOYSA-N
Formula
C22H25BrClN3O3
Mass
494.81
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
3-halobenzoic acids and derivatives
Alternative Parents
Anilides Phenylpropanes Benzoyl derivatives N-arylamides Toluenes Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Fatty amides Carboxylic acid hydrazides Secondary carboxylic acid amides Carbonyl compounds Organobromides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Anilide - Phenylpropane - Benzoyl - N-arylamide - Toluene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Fatty acyl - Fatty amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available