2-hydroxy-N-(3-phenylpropyl)benzamide

• ChemBase ID: 271051
• Molecular Formular: C16H17NO2
• Molecular Mass: 255.31168
• Monoisotopic Mass: 255.12592879
• SMILES: c1(C(=O)NCCCc2ccccc2)c(O)cccc1
• Canonical SMILES: O=C(c1ccccc1O)NCCCc1ccccc1
• InChI: InChI=1S/C16H17NO2/c18-15-11-5-4-10-14(15)16(19)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,18H,6,9,12H2,(H,17,19)
• InChIKey: NCGDIICSZWHCQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-(3-phenylpropyl)benzamide
• IUPAC Traditional name: 2-hydroxy-N-(3-phenylpropyl)benzamide
• Synonyms: 2-hydroxy-N-(3-phenylpropyl)benzamide

Database IDs

• MDL Number: MFCD01428950
• PubChem SID: 164326961
• PubChem CID: 2287872

CALCULATED PROPERTIES

• Acid pKa: 8.193677
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.8508277
• LogD (pH = 7.4): 3.787437
• Log P: 3.8516998
• Molar Refractivity: 75.9826 cm^3
• Polarizability: 28.88755 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 3.959

Product Information

• Purity: 95%