Compound Identification
SMILES
COC[C@@H]1CCCN1C(=O)C1=C(Cl)C=C(C=C1)C(=O)NCC1=NC2=C(N1)C=C(Cl)C=C2
InChIKey
InChIKey=MBNHPMURMAASQJ-HNNXBMFYSA-N
Formula
C22H22Cl2N4O3
Mass
461.34
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 Benzimidazoles N-acylpyrrolidines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzimidazole - N-acylpyrrolidine - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Azole - Imidazole - Tertiary carboxylic acid amide - Pyrrolidine - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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