Compound Identification
SMILES
CC1=C(C)C(C[NH+]2CCCCC2)=C(NC(=O)C2=CC=C(F)C=C2)S1
InChIKey
InChIKey=RWVMYXUITQEMPO-UHFFFAOYSA-O
Formula
C19H24FN2OS
Mass
347.47
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 Benzoyl derivatives Aralkylamines Fluorobenzenes Aryl fluorides Piperidines Heteroaromatic compounds Quaternary ammonium salts Thiophenes Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Heteroaromatic compound - Quaternary ammonium salt - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic 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