N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide

• ChemBase ID: 521496
• Molecular Formular: C31H33FN2O4
• Molecular Mass: 516.6031232
• Monoisotopic Mass: 516.24243577
• SMILES: N(C(=O)c1ccc(N2C(=O)CCC2)cc1)(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1
• Canonical SMILES: O=C1CCCN1c1ccc(cc1)C(=O)N(Cc1cccc(c1)OCCc1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C31H33FN2O4/c32-29-10-2-1-7-24(29)16-19-38-27-8-3-6-23(20-27)21-33(22-28-9-5-18-37-28)31(36)25-12-14-26(15-13-25)34-17-4-11-30(34)35/h1-3,6-8,10,12-15,20,28H,4-5,9,11,16-19,21-22H2
• InChIKey: SZWKLGFCWMVOGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-4-(2-oxo-1-pyrrolidinyl)-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.741245
• LogD (pH = 7.4): 4.741245
• Log P: 4.741245
• Molar Refractivity: 144.7185 cm^3
• Polarizability: 55.131954 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 5.9
• LOG S: -6.79
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 10