N-(2-fluorophenyl)-2-{4-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]morpholin-3-yl}acetamide

• ChemBase ID: 488261
• Molecular Formular: C19H23FN4O3
• Molecular Mass: 374.4093232
• Monoisotopic Mass: 374.17541884
• SMILES: N1(C(=O)CCn2c(ncc2)C)C(CC(=O)Nc2c(F)cccc2)COCC1
• Canonical SMILES: O=C(Nc1ccccc1F)CC1COCCN1C(=O)CCn1ccnc1C
• InChI: InChI=1S/C19H23FN4O3/c1-14-21-7-9-23(14)8-6-19(26)24-10-11-27-13-15(24)12-18(25)22-17-5-3-2-4-16(17)20/h2-5,7,9,15H,6,8,10-13H2,1H3,(H,22,25)
• InChIKey: UCEAFGGGCLSVMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-2-{4-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: N-(2-fluorophenyl)-2-{4-[3-(2-methylimidazol-1-yl)propanoyl]morpholin-3-yl}acetamide
• Synonyms: N-(2-fluorophenyl)-2-{4-[3-(2-methyl-1H-imidazol-1-yl)propanoyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.927952
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3222815
• LogD (pH = 7.4): 0.4464621
• Log P: 0.69018865
• Molar Refractivity: 98.7722 cm^3
• Polarizability: 37.182003 Å^3
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.52
• LOG S: -2.37
• Polar Surface Area: 76.46 Å^2
• Rotatable Bonds: 6