N-[(2R)-2-hydroxy-2-phenylethyl]benzamide

• ChemBase ID: 182470
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(=O)(NC[C@@H](c1ccccc1)O)c1ccccc1
• Canonical SMILES: O[C@H](c1ccccc1)CNC(=O)c1ccccc1
• InChI: InChI=1S/C15H15NO2/c17-14(12-7-3-1-4-8-12)11-16-15(18)13-9-5-2-6-10-13/h1-10,14,17H,11H2,(H,16,18)/t14-/m0/s1
• InChIKey: JZUOCQXDQFRPAF-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
• IUPAC Traditional name: N-[(2R)-2-hydroxy-2-phenylethyl]benzamide

Database IDs

• PubChem SID: 164238380
• PubChem CID: 744627

CALCULATED PROPERTIES

• Acid pKa: 14.045891
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.1417003
• LogD (pH = 7.4): 2.1417003
• Log P: 2.1417003
• Molar Refractivity: 70.6082 cm^3
• Polarizability: 27.052933 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds