N-cyclopentyl-4-hydroxybenzamide

• ChemBase ID: 266519
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: C(=O)(NC1CCCC1)c1ccc(cc1)O
• Canonical SMILES: O=C(c1ccc(cc1)O)NC1CCCC1
• InChI: InChI=1S/C12H15NO2/c14-11-7-5-9(6-8-11)12(15)13-10-3-1-2-4-10/h5-8,10,14H,1-4H2,(H,13,15)
• InChIKey: BVWFBIGOEVEUIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-hydroxybenzamide
• IUPAC Traditional name: N-cyclopentyl-4-hydroxybenzamide
• Synonyms: N-cyclopentyl-4-hydroxybenzamide

Database IDs

• MDL Number: MFCD11130714
• PubChem SID: 164322429
• PubChem CID: 28390740

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 8.47563
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0982409
• LogD (pH = 7.4): 2.0638964
• Log P: 2.0986986
• Molar Refractivity: 58.4272 cm^3
• Polarizability: 22.242119 Å^3
• Polar Surface Area: 49.33 Å^2

PROPERTIES

Physical Property

• Melting Point: 211 - 213°C
• Hydrophobicity(logP): 2.005

Product Information

• Purity: 95%