Compound Identification
SMILES
ClC1=C(C=C(I)C=C1)C(=O)NC1CN2CCC1CC2
InChIKey
InChIKey=PXOHCABTTCQPQN-UHFFFAOYSA-N
Formula
C14H16ClIN2O
Mass
390.65
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 Quinuclidines Benzoyl derivatives Iodobenzenes Chlorobenzenes Piperidines N-acyl amines Vinylogous halides Trialkylamines Amino acids and derivatives Vinyl iodides Vinyl chlorides Iodoalkenes Chloroalkenes Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Quinuclidine - Benzoyl - Iodobenzene - Halobenzene - Chlorobenzene - Piperidine - N-acyl-amine - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Iodoalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Amine - 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