N-(4-chloro-3-methoxyphenyl)-2-{[1-(furan-2-carbonyl)piperidin-3-yl]amino}acetamide

• ChemBase ID: 534167
• Molecular Formular: C19H22ClN3O4
• Molecular Mass: 391.84868
• Monoisotopic Mass: 391.12988388
• SMILES: N1(C(=O)c2occc2)CC(NCC(=O)Nc2cc(c(cc2)Cl)OC)CCC1
• Canonical SMILES: COc1cc(ccc1Cl)NC(=O)CNC1CCCN(C1)C(=O)c1ccco1
• InChI: InChI=1S/C19H22ClN3O4/c1-26-17-10-13(6-7-15(17)20)22-18(24)11-21-14-4-2-8-23(12-14)19(25)16-5-3-9-27-16/h3,5-7,9-10,14,21H,2,4,8,11-12H2,1H3,(H,22,24)
• InChIKey: UYXDPNUUCCSBIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chloro-3-methoxyphenyl)-2-{[1-(furan-2-carbonyl)piperidin-3-yl]amino}acetamide
• IUPAC Traditional name: N-(4-chloro-3-methoxyphenyl)-2-{[1-(furan-2-carbonyl)piperidin-3-yl]amino}acetamide
• Synonyms: N-(4-chloro-3-methoxyphenyl)-2-{[1-(2-furoyl)piperidin-3-yl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.168081
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.60359377
• LogD (pH = 7.4): 1.1267271
• Log P: 1.7913046
• Molar Refractivity: 102.8862 cm^3
• Polarizability: 38.987835 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.14
• LOG S: -3.89
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 6