4-Chloro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
Basic information
- CAS
19071-58-0- Standard SMILES
O=C(NC(CO)Cc1ccccc1)c1ccc(Cl)cc1- InChIKey
RFMBCABMTXUHPB-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO2
- Average molar mass
- 289.75 g/mol
- Monoisotopic mass
- 289.0869564
Names & identifiers
- Preferred name
- 4-Chloro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
- IUPAC
- 4-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
- English name
- p-Chloro-N-(alpha-(hydroxymethyl)phenethyl)benzamide
- Molecular formula
- C16H16ClNO2
- Molecular weight
- 289.76
Names & synonyms
19071-58-04-chloro-n-(1-hydroxy-3-phenylpropan-2-yl)benzamideDTXSID10940640RefChem:1070522DTXCID801369099p-Chloro-N-(alpha-(hydroxymethyl)phenethyl)benzamideN-(1-benzyl-2-hydroxyethyl)-4-chlorobenzenecarboxamide2-(p-Chlorobenzamido)-3-phenyl-1-propanolBRN 3972146Benzamide, p-chloro-N-(alpha-(hydroxymethyl)phenethyl)-Oprea1_270786MFCD01667045
Show more names
Benzamide, 4-chloro-N-[1-(hydroxymethyl)-2-phenylethyl]-
ZINC03623324AKOS0050892663R-0624N-(1-benzyl-2-hydroxy-ethyl)-4-chloro-benzamide
Database identifiers
- CAS
19071-58-0- PubChem CID
- 209003
- DTXSID
DTXSID10940640
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 516.3 · 516.3±50.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 13.66 · 13.66±0.46(Predicted)
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Compound notes
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