Compound Identification
SMILES
Cl.Cl.FC1=C(F)C=C(C(=O)NC2=NNC(=C2)C(=O)NCC2=NC3=CC=CC=C3N2)C(Cl)=C1
InChIKey
InChIKey=ZJCHAFWMSMINBK-UHFFFAOYSA-N
Formula
C19H15Cl3F2N6O2
Mass
503.72
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 Benzimidazoles Benzamides Benzoyl derivatives Pyrazole-5-carboxamides 2-heteroaryl carboxamides Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Heteroaromatic compounds Vinylogous halides Imidazoles Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzimidazole - Benzamide - Benzoyl - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Chlorobenzene - Fluorobenzene - Halobenzene - Imidolactam - Aryl halide - Aryl fluoride - Aryl chloride - Azole - Heteroaromatic compound - Imidazole - Vinylogous halide - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen 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