Compound Identification
SMILES
FC1=C(C=CC=C1Cl)C(=O)N1CCN(CC1)C(=O)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=JAZWEWLTIBCGHI-UHFFFAOYSA-N
Formula
C21H17ClFN3O3
Mass
413.83
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 Indoles Aryl ketones Benzoyl derivatives Fluorobenzenes Chlorobenzenes Substituted pyrroles Piperazines Aryl fluorides Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Indole - Indole or derivatives - Benzoyl - Aryl ketone - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Substituted pyrrole - Piperazine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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