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Basic information
- Standard SMILES
C[C@H](NCCC(=O)c1ccccc1F)c1ccc(Br)cc1- InChIKey
ZMTRQDOJQUKPHW-LBPRGKRZSA-N- Molecular formula
- C17H17BrFNO
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 349.04775
Names & identifiers
- Preferred name
- (S)-3-(1-(4-bromophenyl)ethylamino)-1-(2-fluorophenyl)propan-1-one
- IUPAC
- 3-[[(1S)-1-(4-bromophenyl)ethyl]amino]-1-(2-fluorophenyl)propan-1-one
Names & synonyms
SCHEMBL120003ZMTRQDOJQUKPHW-LBPRGKRZSA-N(S)-3-(1-(4-bromophenyl)-ethylamino)-1-(2-fluorophenyl)-propan-1-one(S)-3-(1-(4-bromophenyl)ethylamino)-1-(2-fluorophenyl)propan-1-one
Database identifiers
- PubChem CID
- 59635692
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 331
Related reactions
9 records
Compound notes
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