1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
Basic information
- Standard SMILES
CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
KDVDYFPDJRIXHD-UHFFFAOYSA-N- Molecular formula
- C21H20F7N3O
- Average molar mass
- 463.4 g/mol
Names & identifiers
- Preferred name
- 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
- IUPAC
- 1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-fluorophenyl)pyrrolidin-3-yl]-1,3-dimethylurea
Database identifiers
- PubChem CID
- 123775016
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 626
Related reactions
58 records
Compound notes
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