Compound Identification
SMILES
COC1=CC2=C(C=C1)N(C(=N2)C(F)(F)F)C1=CN=C(NC(=O)C2=C(F)C=CC(F)=C2)C=N1
InChIKey
InChIKey=VEPAEHFIOMOFFT-UHFFFAOYSA-N
Formula
C20H12F5N5O2
Mass
449.341
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
2-halobenzoic acids and derivatives Benzimidazoles Benzamides Anisoles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Pyrazines N-substituted imidazoles Imidolactams Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzimidazole - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Pyrazine - Imidolactam - Vinylogous halide - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Azacycle - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen 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