Compound Identification
SMILES
FC1=CC=CC=C1N1C[C@@H](CC1=O)C(=O)NC1=NC2=C(S1)C=C(Cl)C=C2
InChIKey
InChIKey=BQGRNFURPYXWGW-SNVBAGLBSA-N
Formula
C18H13ClFN3O2S
Mass
389.83
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Benzothiazoles Pyrrolidinecarboxamides N-arylamides Fluorobenzenes Aryl chlorides Aryl fluorides Pyrrolidine-2-ones Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - 1,3-benzothiazole - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - N-arylamide - Halobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyrrolidone - 2-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available