N-(2-fluoro-4-methylphenyl)-2-(pyrazin-2-ylformamido)propanamide

• ChemBase ID: 370333
• Molecular Formular: C15H15FN4O2
• Molecular Mass: 302.3036032
• Monoisotopic Mass: 302.11790396
• SMILES: C(=O)(NC(C(=O)Nc1c(cc(cc1)C)F)C)c1nccnc1
• Canonical SMILES: O=C(C(NC(=O)c1cnccn1)C)Nc1ccc(cc1F)C
• InChI: InChI=1S/C15H15FN4O2/c1-9-3-4-12(11(16)7-9)20-14(21)10(2)19-15(22)13-8-17-5-6-18-13/h3-8,10H,1-2H3,(H,19,22)(H,20,21)
• InChIKey: JBWJDENIRSRKIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluoro-4-methylphenyl)-2-(pyrazin-2-ylformamido)propanamide
• IUPAC Traditional name: N-(2-fluoro-4-methylphenyl)-2-(pyrazin-2-ylformamido)propanamide
• Synonyms: N-{2-[(2-fluoro-4-methylphenyl)amino]-1-methyl-2-oxoethyl}pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.595289
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1352398
• LogD (pH = 7.4): 1.1352141
• Log P: 1.1352404
• Molar Refractivity: 79.4607 cm^3
• Polarizability: 29.201044 Å^3
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.04
• LOG S: -2.29
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 4