Basic information
- CAS
229309-19-7- Standard SMILES
CC(NCc1ccc(OCc2ccccc2F)cc1)C(N)=O- InChIKey
BHJIBOFHEFDSAU-UHFFFAOYSA-N- Molecular formula
- C17H19FN2O2
- Average molar mass
- 302.34 g/mol
- Monoisotopic mass
- 302.14305602
Names & identifiers
- Preferred name
- (S)-2-(4-(2-fluorobenzyloxy)benzylamino)propanamide
- IUPAC
- 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide
- English name
- Ralfinamide
- Molecular formula
- C17H19FN2O2
- Molecular weight
- 302.34
Names & synonyms
(S)-2-(4-(2-fluorobenzyloxy)benzylamino)propanamideSCHEMBL67329HMS3741E05SB18908SR-01000945077SR-01000945077-12-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide229309-19-7Propanamide, 2-[[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]-
Database identifiers
- CAS
229309-19-7- PubChem CID
- 9839381
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 479 · 479.0±40.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- 16.03 · 16.03±0.50(Predicted)
Related reactions
4 records
Compound notes
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