N-(2-fluoro-5-methylphenyl)-N'-[2-methoxy-1-(pyridin-2-yl)ethyl]butanediamide

• ChemBase ID: 836076
• Molecular Formular: C19H22FN3O3
• Molecular Mass: 359.3946832
• Monoisotopic Mass: 359.1645198
• SMILES: c1(NC(=O)CCC(=O)NC(c2ncccc2)COC)c(ccc(c1)C)F
• Canonical SMILES: COCC(c1ccccn1)NC(=O)CCC(=O)Nc1cc(C)ccc1F
• InChI: InChI=1S/C19H22FN3O3/c1-13-6-7-14(20)16(11-13)22-18(24)8-9-19(25)23-17(12-26-2)15-5-3-4-10-21-15/h3-7,10-11,17H,8-9,12H2,1-2H3,(H,22,24)(H,23,25)
• InChIKey: RUHXEIYQTPWKEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoro-5-methylphenyl)-N'-[2-methoxy-1-(pyridin-2-yl)ethyl]butanediamide
• IUPAC Traditional name: N-(2-fluoro-5-methylphenyl)-N'-[2-methoxy-1-(pyridin-2-yl)ethyl]succinamide
• Synonyms: N-(2-fluoro-5-methylphenyl)-N'-(2-methoxy-1-pyridin-2-ylethyl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.691637
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8494011
• LogD (pH = 7.4): 1.8617485
• Log P: 1.861929
• Molar Refractivity: 96.5131 cm^3
• Polarizability: 36.47373 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.15
• LOG S: -1.5
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 8