Compound Identification
SMILES
FC1=C(F)C(F)=C(F)C(=C1)C(=O)N1CCN(CC1)C(=O)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=REUQOFLJGRBNGW-UHFFFAOYSA-N
Formula
C21H15F4N3O3
Mass
433.363
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
2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Indoles Benzamides Benzoyl derivatives Aryl ketones Fluorobenzenes Substituted pyrroles Piperazines Aryl fluorides Vinylogous halides Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Indole or derivatives - Indole - Benzamide - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Aryl halide - Substituted pyrrole - Piperazine - 1,4-diazinane - Aryl fluoride - Vinylogous halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Vinylogous amide - Ketone - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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