Basic information
- Standard SMILES
O=C(CN1CCC(c2ccc(C(F)(F)F)cc2)C1=O)N1Cc2ccc(F)cc2C1- InChIKey
QAFSJSGFSYOPDQ-UHFFFAOYSA-N- Molecular formula
- C21H18F4N2O2
- Average molar mass
- 406.4 g/mol
Names & identifiers
- Preferred name
- 1-[2-(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
- IUPAC
- 1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
Names & synonyms
1-[2-(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]pyrrolidin-2-oneSCHEMBL2309656
Database identifiers
- PubChem CID
- 67358632
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 633
Related reactions
2 records
Compound notes
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