4-fluoro-3-{[(3-methoxypropyl)[(4-methylphenyl)methyl]carbamoyl]amino}benzamide

• ChemBase ID: 507565
• Molecular Formular: C20H24FN3O3
• Molecular Mass: 373.4212632
• Monoisotopic Mass: 373.18016986
• SMILES: C(=O)(Nc1cc(C(=O)N)ccc1F)N(Cc1ccc(cc1)C)CCCOC
• Canonical SMILES: COCCCN(C(=O)Nc1cc(ccc1F)C(=O)N)Cc1ccc(cc1)C
• InChI: InChI=1S/C20H24FN3O3/c1-14-4-6-15(7-5-14)13-24(10-3-11-27-2)20(26)23-18-12-16(19(22)25)8-9-17(18)21/h4-9,12H,3,10-11,13H2,1-2H3,(H2,22,25)(H,23,26)
• InChIKey: SGPWDAFHHKOURA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-{[(3-methoxypropyl)[(4-methylphenyl)methyl]carbamoyl]amino}benzamide
• IUPAC Traditional name: 4-fluoro-3-{[(3-methoxypropyl)[(4-methylphenyl)methyl]carbamoyl]amino}benzamide
• Synonyms: 4-fluoro-3-({[(3-methoxypropyl)(4-methylbenzyl)amino]carbonyl}amino)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.274545
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5689824
• LogD (pH = 7.4): 2.568929
• Log P: 2.5689838
• Molar Refractivity: 104.2486 cm^3
• Polarizability: 38.280376 Å^3
• Polar Surface Area: 84.66 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: 2.37
• LOG S: -3.95
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 8