Compound Identification
SMILES
CC1CC2=C(O1)C(=CC(Cl)=C2)C(=O)NC1C[C@@H]2CC[C@H](C1)N2C
InChIKey
InChIKey=GYNKWJSTMFIZFD-GVDQSUKFSA-N
Formula
C18H23ClN2O2
Mass
334.84
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 Coumarans Alkyl aryl ethers Piperidines N-alkylpyrrolidines Aryl chlorides 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 - Coumaran - Tropane alkaloid - Alkyl aryl ether - Aryl chloride - Aryl halide - Piperidine - N-alkylpyrrolidine - 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