3-[(2-fluorophenyl)formamido]-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 569794
• Molecular Formular: C18H25FN2O4
• Molecular Mass: 352.4005032
• Monoisotopic Mass: 352.17983551
• SMILES: c1(C(=O)NCCC(=O)N(CC2OCCC2)CCOC)c(F)cccc1
• Canonical SMILES: COCCN(C(=O)CCNC(=O)c1ccccc1F)CC1CCCO1
• InChI: InChI=1S/C18H25FN2O4/c1-24-12-10-21(13-14-5-4-11-25-14)17(22)8-9-20-18(23)15-6-2-3-7-16(15)19/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,20,23)
• InChIKey: XAXKDSPIFZPDIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluorophenyl)formamido]-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-[(2-fluorophenyl)formamido]-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: 2-fluoro-N-{3-[(2-methoxyethyl)(tetrahydrofuran-2-ylmethyl)amino]-3-oxopropyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.259924
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9172831
• LogD (pH = 7.4): 0.91728264
• Log P: 0.9172832
• Molar Refractivity: 91.9473 cm^3
• Polarizability: 35.029903 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.98
• LOG S: -3.46
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9