Compound Identification
SMILES
CN1[C@H]2CC[C@@H]1CC(C2)NC(=O)C1=CC(Cl)=CC2=C1OCC1=CC=CN21
InChIKey
InChIKey=SQHSMTMOMPOJSZ-GOOCMWNKSA-N
Formula
C20H22ClN3O2
Mass
371.87
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
Tropane alkaloids Alkyl aryl ethers Piperidines N-alkylpyrrolidines Aryl chlorides Pyrroles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Tropane alkaloid - Alkyl aryl ether - Aryl chloride - Aryl halide - Piperidine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrole - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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