Basic information
- Standard SMILES
CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1- InChIKey
PHWSQDIMXZLFQJ-UHFFFAOYSA-N- Molecular formula
- C21H21F4NO3
- Average molar mass
- 411.4 g/mol
Names & identifiers
- Preferred name
- 5-(2-Ethoxy-6-fluorophenyl)-3-methyl-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
- IUPAC
- 5-(2-ethoxy-6-fluorophenyl)-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
Names & synonyms
5-(2-ethoxy-6-fluorophenyl)-3-methyl-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-oneSCHEMBL4539485CHEMBL3902140BDBM203188US9242970, 370
Database identifiers
- PubChem CID
- 69084006
- ChEMBL
CHEMBL3902140
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 551
Related reactions
1 records
Compound notes
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