Compound Identification
SMILES
COC1=C(C=C(C=C1)C(=O)N(C)[C@@H]1CN(C[C@H]1C1=CC(Cl)=C(Cl)C=C1)C(=O)C1=C(F)C=CC(=C1)S(C)(=O)=O)C(F)(F)F
InChIKey
InChIKey=YTQDSLAGWFKTFG-YADARESESA-N
Formula
C28H24Cl2F4N2O5S
Mass
647.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
2-halobenzoic acids and derivatives Trifluoromethylbenzenes Benzamides Benzenesulfonyl compounds Anisoles Phenoxy compounds Benzoyl derivatives Dichlorobenzenes N-acylpyrrolidines Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl chlorides Aryl fluorides Pyrroles Sulfones Tertiary carboxylic acid amides Vinylogous halides Tertiary amines Amino acids and derivatives Azacyclic compounds Organochlorides Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Anisole - Methoxybenzene - Benzoyl - 1,2-dichlorobenzene - N-acylpyrrolidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Pyrrole - Vinylogous halide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl fluoride - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic 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