3-chloro-N-cyclopentyl-4-{[1-(3,5-dimethylfuran-2-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 850391
• Molecular Formular: C24H29ClN2O4
• Molecular Mass: 444.95106
• Monoisotopic Mass: 444.1815851
• SMILES: c1(C(=O)N2CCC(Oc3c(cc(C(=O)NC4CCCC4)cc3)Cl)CC2)c(cc(o1)C)C
• Canonical SMILES: Cc1oc(c(c1)C)C(=O)N1CCC(CC1)Oc1ccc(cc1Cl)C(=O)NC1CCCC1
• InChI: InChI=1S/C24H29ClN2O4/c1-15-13-16(2)30-22(15)24(29)27-11-9-19(10-12-27)31-21-8-7-17(14-20(21)25)23(28)26-18-5-3-4-6-18/h7-8,13-14,18-19H,3-6,9-12H2,1-2H3,(H,26,28)
• InChIKey: AVJIIUXLYSSMLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-cyclopentyl-4-{[1-(3,5-dimethylfuran-2-carbonyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 3-chloro-N-cyclopentyl-4-{[1-(3,5-dimethylfuran-2-carbonyl)piperidin-4-yl]oxy}benzamide
• Synonyms: 3-chloro-N-cyclopentyl-4-{[1-(3,5-dimethyl-2-furoyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.789038
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7297413
• LogD (pH = 7.4): 3.7297418
• Log P: 3.7297418
• Molar Refractivity: 120.6889 cm^3
• Polarizability: 45.559673 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.81
• LOG S: -7.63
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 5