2-(4-fluorophenyl)-1-[3-(furan-2-yl)benzoyl]pyrrolidine

• ChemBase ID: 583946
• Molecular Formular: C21H18FNO2
• Molecular Mass: 335.3715232
• Monoisotopic Mass: 335.13215704
• SMILES: N1(C(=O)c2cc(c3occc3)ccc2)C(c2ccc(cc2)F)CCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCN1C(=O)c1cccc(c1)c1ccco1
• InChI: InChI=1S/C21H18FNO2/c22-18-10-8-15(9-11-18)19-6-2-12-23(19)21(24)17-5-1-4-16(14-17)20-7-3-13-25-20/h1,3-5,7-11,13-14,19H,2,6,12H2
• InChIKey: SMNXEMJSWLCTOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-[3-(furan-2-yl)benzoyl]pyrrolidine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-[3-(furan-2-yl)benzoyl]pyrrolidine
• Synonyms: 2-(4-fluorophenyl)-1-[3-(2-furyl)benzoyl]pyrrolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3114495
• LogD (pH = 7.4): 4.31145
• Log P: 4.31145
• Molar Refractivity: 94.4971 cm^3
• Polarizability: 36.851902 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.56
• LOG S: -4.69
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 3