Compound Identification
SMILES
FC1=C(F)C=C(C=C1)C(=O)N1CCN(CC1)C(=O)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=HUDSKKWGJUYXGT-UHFFFAOYSA-N
Formula
C21H17F2N3O3
Mass
397.382
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
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzamides Indoles Benzoyl derivatives Aryl ketones Fluorobenzenes Piperazines Aryl fluorides Substituted pyrroles Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Indole - Indole or derivatives - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Pyrrole - Ketone - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available