N-[(cyclopropylcarbamoyl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide

• ChemBase ID: 570208
• Molecular Formular: C15H20FN3O2
• Molecular Mass: 293.3366032
• Monoisotopic Mass: 293.15395512
• SMILES: C(=O)(C(c1ccc(cc1)F)N(C)C)NCC(=O)NC1CC1
• Canonical SMILES: CN(C(c1ccc(cc1)F)C(=O)NCC(=O)NC1CC1)C
• InChI: InChI=1S/C15H20FN3O2/c1-19(2)14(10-3-5-11(16)6-4-10)15(21)17-9-13(20)18-12-7-8-12/h3-6,12,14H,7-9H2,1-2H3,(H,17,21)(H,18,20)
• InChIKey: VFQHQZDUGZJOQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(cyclopropylcarbamoyl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
• IUPAC Traditional name: N-[(cyclopropylcarbamoyl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
• Synonyms: N~1~-cyclopropyl-N~2~-[(dimethylamino)(4-fluorophenyl)acetyl]glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.005261
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.71333855
• LogD (pH = 7.4): 0.44291687
• Log P: 0.52429885
• Molar Refractivity: 77.3806 cm^3
• Polarizability: 29.80778 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.32
• LOG S: -2.47
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6