N-cyclopentyl-2-hydroxybenzamide

• ChemBase ID: 261503
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: C(=O)(c1c(O)cccc1)NC1CCCC1
• Canonical SMILES: O=C(c1ccccc1O)NC1CCCC1
• InChI: InChI=1S/C12H15NO2/c14-11-8-4-3-7-10(11)12(15)13-9-5-1-2-6-9/h3-4,7-9,14H,1-2,5-6H2,(H,13,15)
• InChIKey: UVXPTNQUYBGLKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-hydroxybenzamide
• IUPAC Traditional name: N-cyclopentyl-2-hydroxybenzamide
• Synonyms: N-cyclopentyl-2-hydroxybenzamide

Database IDs

• MDL Number: MFCD01102964
• PubChem SID: 164317413
• PubChem CID: 3557780

CALCULATED PROPERTIES

• Acid pKa: 8.190982
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7478209
• LogD (pH = 7.4): 2.6840649
• Log P: 2.7486987
• Molar Refractivity: 58.4272 cm^3
• Polarizability: 22.244768 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): 2.955

Product Information

• Purity: 95%