Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@@H](O)[C@@H](O)C2)c(Br)c1- InChIKey
RQAFJBWNXACICP-IYBDPMFKSA-N- Molecular formula
- C18H16BrF3N2O4
- Average molar mass
- 461.2 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-4-((3S,4R)-3,4-dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-benzamide
- IUPAC
- 3-bromo-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
Names & synonyms
3-Bromo-4-((3S,4R)-3,4-dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-benzamideSCHEMBL153918463-Bromo-4-((3S,4R)-3,4-dihydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
Database identifiers
- PubChem CID
- 89907019
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 535
Related reactions
2 records
Compound notes
Loading…