Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)N1CCCC[C@H](SC2=CC=CC=C2)C1=O
InChIKey
InChIKey=GCFQIFPBARLFHR-KRWDZBQOSA-N
Formula
C19H18FNO2S
Mass
343.42
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
Thiophenol ethers Benzoyl derivatives Caprolactams Alkylarylthioethers Azepanes Fluorobenzenes N-substituted carboxylic acid imides Aryl fluorides Dicarboximides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Caprolactam - Thiophenol ether - Azepane - Alkylarylthioether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - 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