Compound Identification
SMILES
CC(C)NC(=O)C1CCC(CC1)N1C(NC(=O)C2=CC=C(F)C=C2)=NC2=C1C=C(CO)C=C2
InChIKey
InChIKey=LNTSNRZXZMENQG-UHFFFAOYSA-N
Formula
C25H29FN4O3
Mass
452.53
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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzimidazoles Benzoyl derivatives Fluorobenzenes Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Aromatic alcohols Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzimidazole - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available