Compound Identification
SMILES
CC1=C(C(=O)N2CC[C@H](C2)NC2=NC3=C(O2)C=C(Cl)C=C3)C(Cl)=CC=C1
InChIKey
InChIKey=UVRKZELDSHRWJK-CYBMUJFWSA-N
Formula
C19H17Cl2N3O2
Mass
390.26
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
o-Toluamides Benzamides Benzoxazoles Benzoyl derivatives N-acylpyrrolidines Chlorobenzenes Secondary alkylarylamines Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous halides Oxazoles Amino acids and derivatives Tertiary amines Azacyclic compounds Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - O-toluamide - Toluamide - Benzamide - Benzoxazole - N-acylpyrrolidine - Benzoyl - Secondary aliphatic/aromatic amine - Halobenzene - Toluene - Chlorobenzene - Aryl halide - Aryl chloride - Oxazole - Tertiary carboxylic acid amide - Pyrrolidine - Vinylogous halide - Azole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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