N-[4-(1-hydroxyethyl)phenyl]benzamide

• ChemBase ID: 266254
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(=O)(Nc1ccc(cc1)C(O)C)c1ccccc1
• Canonical SMILES: CC(c1ccc(cc1)NC(=O)c1ccccc1)O
• InChI: InChI=1S/C15H15NO2/c1-11(17)12-7-9-14(10-8-12)16-15(18)13-5-3-2-4-6-13/h2-11,17H,1H3,(H,16,18)
• InChIKey: KELRWTBDHHZZFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(1-hydroxyethyl)phenyl]benzamide
• IUPAC Traditional name: N-[4-(1-hydroxyethyl)phenyl]benzamide
• Synonyms: N-[4-(1-hydroxyethyl)phenyl]benzamide

Database IDs

• MDL Number: MFCD12471851
• PubChem SID: 164322164
• PubChem CID: 43416657

CALCULATED PROPERTIES

• Acid pKa: 11.999439
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7143557
• LogD (pH = 7.4): 2.7143455
• Log P: 2.714356
• Molar Refractivity: 72.8262 cm^3
• Polarizability: 27.235186 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 166°C
• Hydrophobicity(logP): 1.921

Product Information

• Purity: 95%