3-fluoro-2-methoxy-N-methyl-N-(oxan-2-ylmethyl)benzamide

• ChemBase ID: 398539
• Molecular Formular: C15H20FNO3
• Molecular Mass: 281.3226032
• Monoisotopic Mass: 281.14272173
• SMILES: c1(C(=O)N(CC2OCCCC2)C)c(c(F)ccc1)OC
• Canonical SMILES: COc1c(F)cccc1C(=O)N(CC1CCCCO1)C
• InChI: InChI=1S/C15H20FNO3/c1-17(10-11-6-3-4-9-20-11)15(18)12-7-5-8-13(16)14(12)19-2/h5,7-8,11H,3-4,6,9-10H2,1-2H3
• InChIKey: KNOWPYCLUPCKQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-methoxy-N-methyl-N-(oxan-2-ylmethyl)benzamide
• IUPAC Traditional name: 3-fluoro-2-methoxy-N-methyl-N-(oxan-2-ylmethyl)benzamide
• Synonyms: 3-fluoro-2-methoxy-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1194265
• LogD (pH = 7.4): 2.1194265
• Log P: 2.1194265
• Molar Refractivity: 74.4651 cm^3
• Polarizability: 28.2453 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.48
• LOG S: -2.52
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4