Compound Identification
SMILES
BrC1=CC=CC=C1C(=O)N1CC[NH+](CC2=CC=CC=C2)CC1
InChIKey
InChIKey=QPLRPWGJEQFBKR-UHFFFAOYSA-O
Formula
C18H20BrN2O
Mass
360.274
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 Phenylmethylamines Aralkylamines Bromobenzenes N-alkylpiperazines Aryl bromides Tertiary carboxylic acid amides Vinylogous halides Quaternary ammonium salts Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Bromobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Vinylogous halide - Tertiary carboxylic acid amide - Quaternary ammonium salt - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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