N-cyclopropyl-3-fluoro-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide

• ChemBase ID: 567088
• Molecular Formular: C24H29FN2O2
• Molecular Mass: 396.4976632
• Monoisotopic Mass: 396.2213064
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCCN2CCCCC2)ccc1)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)C(=O)N(C1CC1)Cc1cccc(c1)OCCN1CCCCC1
• InChI: InChI=1S/C24H29FN2O2/c25-21-8-5-7-20(17-21)24(28)27(22-10-11-22)18-19-6-4-9-23(16-19)29-15-14-26-12-2-1-3-13-26/h4-9,16-17,22H,1-3,10-15,18H2
• InChIKey: QOWOMRXYNCIHMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-fluoro-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-3-fluoro-N-({3-[2-(piperidin-1-yl)ethoxy]phenyl}methyl)benzamide
• Synonyms: N-cyclopropyl-3-fluoro-N-{3-[2-(1-piperidinyl)ethoxy]benzyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.197303
• LogD (pH = 7.4): 2.854478
• Log P: 4.315317
• Molar Refractivity: 113.5943 cm^3
• Polarizability: 43.40236 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.63
• LOG S: -4.37
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8