Compound Identification
SMILES
OC(=O)C(F)(F)F.CCC1=CC(CC2=CC(C(=O)N3CCC(C3)C3=CC=NC=C3)=C(F)C=C2)=NNC1=O
InChIKey
InChIKey=MBEWIDXCHBWSMZ-UHFFFAOYSA-N
Formula
C25H24F4N4O4
Mass
520.485
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
Benzamides N-acylpyrrolidines Benzoyl derivatives Pyridazinones Fluorobenzenes Pyridines and derivatives Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Alpha-halocarboxylic acids Heteroaromatic compounds Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
2-halobenzoic acid or derivatives - Benzamide - N-acylpyrrolidine - Benzoyl - Pyridazinone - Halobenzene - Fluorobenzene - Aryl halide - Pyridine - Pyridazine - Aryl fluoride - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrolidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Lactam - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carboxylic acid - Alkyl fluoride - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic 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