N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,2-dimethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide

• ChemBase ID: 523104
• Molecular Formular: C23H24FN3O3
• Molecular Mass: 409.4533632
• Monoisotopic Mass: 409.18016986
• SMILES: N1(C(=O)c2c(C1=O)ccc(C(=O)N(C1CN(Cc3c(F)cccc3)CCC1)C)c2)C
• Canonical SMILES: CN(C(=O)c1ccc2c(c1)C(=O)N(C2=O)C)C1CCCN(C1)Cc1ccccc1F
• InChI: InChI=1S/C23H24FN3O3/c1-25(17-7-5-11-27(14-17)13-16-6-3-4-8-20(16)24)21(28)15-9-10-18-19(12-15)23(30)26(2)22(18)29/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3
• InChIKey: ORJQMWHTQMYOEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,2-dimethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,2-dimethyl-1,3-dioxo-5-isoindolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8232719
• LogD (pH = 7.4): 2.3370123
• Log P: 2.5664756
• Molar Refractivity: 113.1426 cm^3
• Polarizability: 41.77472 Å^3
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.35
• LOG S: -3.46
• Polar Surface Area: 60.93 Å^2
• Rotatable Bonds: 4