2-(dimethylamino)-N-[2-(6-fluoro-1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide

• ChemBase ID: 613260
• Molecular Formular: C19H20F2N4O
• Molecular Mass: 358.3851064
• Monoisotopic Mass: 358.16051772
• SMILES: n1c([nH]c2c1ccc(c2)F)CCNC(=O)C(c1c(F)cccc1)N(C)C
• Canonical SMILES: CN(C(c1ccccc1F)C(=O)NCCc1nc2c([nH]1)cc(cc2)F)C
• InChI: InChI=1S/C19H20F2N4O/c1-25(2)18(13-5-3-4-6-14(13)21)19(26)22-10-9-17-23-15-8-7-12(20)11-16(15)24-17/h3-8,11,18H,9-10H2,1-2H3,(H,22,26)(H,23,24)
• InChIKey: MWAFGIIGLMXQLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[2-(6-fluoro-1H-1,3-benzodiazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[2-(5-fluoro-3H-1,3-benzodiazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.402697
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5512059
• LogD (pH = 7.4): 2.5939429
• Log P: 2.62763
• Molar Refractivity: 95.1318 cm^3
• Polarizability: 37.329296 Å^3
• Polar Surface Area: 61.02 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: 2.84
• LOG S: -4.24
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 6