Compound Identification
SMILES
CN(C)C(=O)C1=NOC2=C1C=CC(=C2)C1=CC(=CC(F)=C1C)C(=O)NC1CC1
InChIKey
InChIKey=XAUVZSYDWSFBOC-UHFFFAOYSA-N
Formula
C21H20FN3O3
Mass
381.407
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 Benzamides Benzisoxazoles 2-heteroaryl carboxamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organofluorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzisoxazole - Benzamide - Toluamide - P-toluamide - Benzoyl - 2-heteroaryl carboxamide - Fluorobenzene - Halobenzene - Toluene - Aryl halide - Aryl fluoride - Heteroaromatic compound - Isoxazole - Tertiary carboxylic acid amide - Azole - 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 - Organofluoride - Organohalogen compound - 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