N-[2-(1-hydroxyethyl)phenyl]benzamide

• ChemBase ID: 266262
• Molecular Formular: C15H15NO2
• Molecular Mass: 241.2851
• Monoisotopic Mass: 241.11027873
• SMILES: C(=O)(Nc1c(C(O)C)cccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)Nc1ccccc1C(O)C
• InChI: InChI=1S/C15H15NO2/c1-11(17)13-9-5-6-10-14(13)16-15(18)12-7-3-2-4-8-12/h2-11,17H,1H3,(H,16,18)
• InChIKey: MUTYBRCSBLSQCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1-hydroxyethyl)phenyl]benzamide
• IUPAC Traditional name: N-[2-(1-hydroxyethyl)phenyl]benzamide
• Synonyms: N-[2-(1-hydroxyethyl)phenyl]benzamide

Database IDs

• MDL Number: MFCD12561135
• PubChem SID: 164322172
• PubChem CID: 10014569

CALCULATED PROPERTIES

• Acid pKa: 11.62042
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7143555
• LogD (pH = 7.4): 2.7143312
• Log P: 2.714356
• Molar Refractivity: 72.8262 cm^3
• Polarizability: 27.23556 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): 1.271

Product Information

• Purity: 95%