2-(5-fluoro-4-methoxypyrimidin-2-yl)-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 375311
• Molecular Formular: C18H22FN3O2
• Molecular Mass: 331.3845832
• Monoisotopic Mass: 331.16960518
• SMILES: C(=O)(c1c(c2nc(c(cn2)F)OC)cccc1)N(C(C)C)C(C)C
• Canonical SMILES: COc1nc(ncc1F)c1ccccc1C(=O)N(C(C)C)C(C)C
• InChI: InChI=1S/C18H22FN3O2/c1-11(2)22(12(3)4)18(23)14-9-7-6-8-13(14)16-20-10-15(19)17(21-16)24-5/h6-12H,1-5H3
• InChIKey: ALIZLRDVSCBTMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoro-4-methoxypyrimidin-2-yl)-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: 2-(5-fluoro-4-methoxypyrimidin-2-yl)-N,N-diisopropylbenzamide
• Synonyms: 2-(5-fluoro-4-methoxypyrimidin-2-yl)-N,N-diisopropylbenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.7447162
• LogD (pH = 7.4): 3.7447274
• Log P: 3.7447276
• Molar Refractivity: 102.3331 cm^3
• Polarizability: 34.88565 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.66
• LOG S: -3.03
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5