1-[4-(4-Chloro-phenoxy)-phenyl]-5-(3-trifluoromethyl-phenyl)-pyrrolidin-2-one
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Basic information
- Standard SMILES
O=C1CCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1- InChIKey
CKOPGFGCJWIJOG-UHFFFAOYSA-N- Molecular formula
- C23H17ClF3NO2
- Average molar mass
- 431.8 g/mol
- Monoisotopic mass
- 431.089991
Names & identifiers
- Preferred name
- 1-[4-(4-Chloro-phenoxy)-phenyl]-5-(3-trifluoromethyl-phenyl)-pyrrolidin-2-one
- IUPAC
- 1-[4-(4-chlorophenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Names & synonyms
1-[4-(4-chloro-phenoxy)-phenyl]-5-(3-trifluoromethyl-phenyl)-pyrrolidin-2-oneSCHEMBL3591787
Database identifiers
- PubChem CID
- 59486014
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
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Related reactions
5 records
Compound notes
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