4-fluoro-3-methoxy-N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

• ChemBase ID: 769191
• Molecular Formular: C17H25FN2O2
• Molecular Mass: 308.3910032
• Monoisotopic Mass: 308.19000627
• SMILES: C(=O)(c1cc(c(cc1)F)OC)N(CCN1CCC(CC1)C)C
• Canonical SMILES: COc1cc(ccc1F)C(=O)N(CCN1CCC(CC1)C)C
• InChI: InChI=1S/C17H25FN2O2/c1-13-6-8-20(9-7-13)11-10-19(2)17(21)14-4-5-15(18)16(12-14)22-3/h4-5,12-13H,6-11H2,1-3H3
• InChIKey: CBTOYZIRRYDBPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-methoxy-N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
• IUPAC Traditional name: 4-fluoro-3-methoxy-N-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
• Synonyms: 4-fluoro-3-methoxy-N-methyl-N-[2-(4-methyl-1-piperidinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.47850493
• LogD (pH = 7.4): 1.2693945
• Log P: 2.4122987
• Molar Refractivity: 86.3191 cm^3
• Polarizability: 32.7153 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.17
• LOG S: -2.43
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4