Basic information
- Standard SMILES
C[C@@H](NC(=O)c1ccc(Br)c(F)c1)C1CC1- InChIKey
HTVIJWDHDYOWKZ-SSDOTTSWSA-N- Molecular formula
- C12H13BrFNO
- Average molar mass
- 286.14 g/mol
- Monoisotopic mass
- 285.01645
Names & identifiers
- Preferred name
- 4-bromo-N-[(1R)-1-cyclopropylethyl]-3-fluorobenzamide
- IUPAC
- 4-bromo-N-[(1R)-1-cyclopropylethyl]-3-fluorobenzamide
Names & synonyms
SCHEMBL14574744HTVIJWDHDYOWKZ-SSDOTTSWSA-N4-bromo-N-[(1R)-1-cyclopropylethyl]-3-fluorobenzamide
Database identifiers
- PubChem CID
- 71207892
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
4 records
Compound notes
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