Compound Identification
SMILES
CC1CC[NH+](CCC2=NC3=C(C=CC(NC(=O)C4=CC=C(F)C=C4)=C3)N2C)CC1
InChIKey
InChIKey=KGXAXDCTTRIRTC-UHFFFAOYSA-O
Formula
C23H28FN4O
Mass
395.502
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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 Aralkylamines Fluorobenzenes Piperidines Aryl fluorides N-substituted imidazoles Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organofluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzimidazole - Benzoyl - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - N-substituted imidazole - Piperidine - Azole - Heteroaromatic compound - Imidazole - Quaternary ammonium salt - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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