Compound Identification
SMILES
CN1C(CC(=O)NNC(=O)C2=CC(F)=C(F)C=C2Cl)=NC2=CC=CC=C12
InChIKey
InChIKey=BHIBONQYDCDITO-UHFFFAOYSA-N
Formula
C17H13ClF2N4O2
Mass
378.76
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 Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides N-substituted imidazoles Vinylogous halides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzimidazole - Benzoyl - Fluorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous halide - Carboxylic acid hydrazide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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