Basic information
- Standard SMILES
O=C(N[C@H]1c2cc(Br)ccc2OC[C@@H]1O)c1ccc(F)cc1- InChIKey
XOLBXQGWJAAPNU-ZFWWWQNUSA-N- Molecular formula
- C16H13BrFNO3
- Average molar mass
- 366.18 g/mol
Names & identifiers
- Preferred name
- N-[(3R,4S)-6-Bromo-3-hydroxy-chroman-4-yl]-4-fluoro-benzamide
- IUPAC
- N-[(3R,4S)-6-bromo-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]-4-fluorobenzamide
Names & synonyms
SCHEMBL2114479XOLBXQGWJAAPNU-ZFWWWQNUSA-NN-[(3R,4S)-6-Bromo-3-hydroxy-chroman-4-yl]-4-fluoro-benzamide
Database identifiers
- PubChem CID
- 67281102
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
2 records
Compound notes
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