N-butyl-5-fluoro-N-(furan-2-ylmethyl)-2-methoxybenzamide

• ChemBase ID: 545621
• Molecular Formular: C17H20FNO3
• Molecular Mass: 305.3440032
• Monoisotopic Mass: 305.14272173
• SMILES: c1(C(=O)N(Cc2occc2)CCCC)c(ccc(c1)F)OC
• Canonical SMILES: CCCCN(C(=O)c1cc(F)ccc1OC)Cc1ccco1
• InChI: InChI=1S/C17H20FNO3/c1-3-4-9-19(12-14-6-5-10-22-14)17(20)15-11-13(18)7-8-16(15)21-2/h5-8,10-11H,3-4,9,12H2,1-2H3
• InChIKey: PNRRJTSJZGRJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-5-fluoro-N-(furan-2-ylmethyl)-2-methoxybenzamide
• IUPAC Traditional name: N-butyl-5-fluoro-N-(furan-2-ylmethyl)-2-methoxybenzamide
• Synonyms: N-butyl-5-fluoro-N-(2-furylmethyl)-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3648877
• LogD (pH = 7.4): 3.3648877
• Log P: 3.3648877
• Molar Refractivity: 82.4865 cm^3
• Polarizability: 31.036015 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.96
• LOG S: -4.81
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 7