Compound Identification
SMILES
CC(C)C1=NOC(=N1)C1=CC2=NN=C(CNC(=O)C3=CC(F)=C(C)C=C3)N2C=C1
InChIKey
InChIKey=HSVZJJONZKECIC-UHFFFAOYSA-N
Formula
C20H19FN6O2
Mass
394.41
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
3-halobenzoic acids and derivatives
Alternative Parents
p-Toluamides Triazolopyridines Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Pyridines and derivatives Heteroaromatic compounds 1,2,4-oxadiazoles Triazoles Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Triazolopyridine - P-toluamide - Toluamide - Benzamide - Benzoyl - Halobenzene - Fluorobenzene - Toluene - Aryl fluoride - Pyridine - Aryl halide - 1,2,4-oxadiazole - 1,2,4-triazole - Triazole - Oxadiazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available