Compound Identification
SMILES
ClC1=CC(C(=O)NCCCN2CCCC2=O)=C(Br)C=C1
InChIKey
InChIKey=IVPKQPNFKVOLTL-UHFFFAOYSA-N
Formula
C14H16BrClN2O2
Mass
359.65
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
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Bromobenzenes Pyrrolidine-2-ones Aryl bromides N-alkylpyrrolidines Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Bromobenzene - Aryl bromide - Aryl chloride - Aryl halide - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Lactam - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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