Basic information
- Standard SMILES
O=C(NC1CN2CCC1CC2)c1cc2cc(F)cc(Br)c2o1- InChIKey
KYJLJVCNRRBZOH-UHFFFAOYSA-N- Molecular formula
- C16H16BrFN2O2
- Average molar mass
- 367.21 g/mol
Names & identifiers
- Preferred name
- N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-5-fluoro-1-benzofuran-2-carboxamide
- IUPAC
- N-(1-azabicyclo[2.2.2]octan-3-yl)-7-bromo-5-fluoro-1-benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 17982829
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 444
Related reactions
4 records
Linked notes
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