3-(2-chlorophenyl)-N-cyclobutyl-3-(3-hydroxyphenyl)propanamide

• ChemBase ID: 514930
• Molecular Formular: C19H20ClNO2
• Molecular Mass: 329.8206
• Monoisotopic Mass: 329.11825657
• SMILES: C(c1c(Cl)cccc1)(c1cc(O)ccc1)CC(=O)NC1CCC1
• Canonical SMILES: O=C(CC(c1ccccc1Cl)c1cccc(c1)O)NC1CCC1
• InChI: InChI=1S/C19H20ClNO2/c20-18-10-2-1-9-16(18)17(13-5-3-8-15(22)11-13)12-19(23)21-14-6-4-7-14/h1-3,5,8-11,14,17,22H,4,6-7,12H2,(H,21,23)
• InChIKey: YSVLPDLCPJFJSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chlorophenyl)-N-cyclobutyl-3-(3-hydroxyphenyl)propanamide
• IUPAC Traditional name: 3-(2-chlorophenyl)-N-cyclobutyl-3-(3-hydroxyphenyl)propanamide
• Synonyms: 3-(2-chlorophenyl)-N-cyclobutyl-3-(3-hydroxyphenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.438562
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.103682
• LogD (pH = 7.4): 4.099799
• Log P: 4.1037316
• Molar Refractivity: 91.927 cm^3
• Polarizability: 35.75598 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.42
• LOG S: -5.06
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 5