N-cyclohexyl-2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 448776
• Molecular Formular: C23H26FN3O
• Molecular Mass: 379.4704432
• Monoisotopic Mass: 379.20599069
• SMILES: c1(c([nH]c2c1cccc2F)C)CC(=O)N(Cc1cnccc1)C1CCCCC1
• Canonical SMILES: O=C(N(C1CCCCC1)Cc1cccnc1)Cc1c(C)[nH]c2c1cccc2F
• InChI: InChI=1S/C23H26FN3O/c1-16-20(19-10-5-11-21(24)23(19)26-16)13-22(28)27(18-8-3-2-4-9-18)15-17-7-6-12-25-14-17/h5-7,10-12,14,18,26H,2-4,8-9,13,15H2,1H3
• InChIKey: QZGWBXHRSMVLRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: N-cyclohexyl-2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: N-cyclohexyl-2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 5
• H Acceptors: 2
• H Donor: 1
• Log P: 3.78
• LOG S: -3.9

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.584069
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9262366
• LogD (pH = 7.4): 3.9974906
• Log P: 3.9985
• Molar Refractivity: 108.9037 cm^3
• Polarizability: 42.69499 Å^3
• Polar Surface Area: 48.99 Å^2