Compound Identification
SMILES
F[C@H]1[C@H](Nc2nc3cc(C(=O)NC4CCCCC4)c(F)cc3[nH]2)C(Cl)=CC=C1Cl
InChIKey
InChIKey=VWHAFLDEESKNMT-QZTJIDSGSA-N
Formula
C20H20Cl2F2N4O
Mass
441.3
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzimidazoles Aminoimidazoles Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Vinyl chlorides Azacyclic compounds Chloroalkenes Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Amines Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzimidazole - Aminoimidazole - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Chloroalkene - Carboxylic acid derivative - Haloalkene - Organoheterocyclic compound - Vinyl chloride - Vinyl halide - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available