Compound Identification
SMILES
NC1=CC=C(OCCCCCNC(=O)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=GMGUAOPZEQUALL-UHFFFAOYSA-N
Formula
C18H21BrN2O2
Mass
377.282
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Aminophenyl ethers Phenoxy compounds Benzoyl derivatives Aniline and substituted anilines Bromobenzenes Alkyl aryl ethers Aryl bromides Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Aminophenyl ether - Benzoyl - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available