N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide

• ChemBase ID: 536652
• Molecular Formular: C16H23FN2O3
• Molecular Mass: 310.3638232
• Monoisotopic Mass: 310.16927083
• SMILES: c1(NC(=O)CCC(=O)NCC(OC)CC)c(ccc(c1)C)F
• Canonical SMILES: CCC(CNC(=O)CCC(=O)Nc1cc(C)ccc1F)OC
• InChI: InChI=1S/C16H23FN2O3/c1-4-12(22-3)10-18-15(20)7-8-16(21)19-14-9-11(2)5-6-13(14)17/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,18,20)(H,19,21)
• InChIKey: WMTYWUKFNPYSDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)butanediamide
• IUPAC Traditional name: N'-(2-fluoro-5-methylphenyl)-N-(2-methoxybutyl)succinamide
• Synonyms: N-(2-fluoro-5-methylphenyl)-N'-(2-methoxybutyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.958264
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0007975
• LogD (pH = 7.4): 2.0007863
• Log P: 2.0007975
• Molar Refractivity: 83.7771 cm^3
• Polarizability: 31.473303 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.92
• LOG S: -3.1
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 8