N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 451972
• Molecular Formular: C20H23ClN2O
• Molecular Mass: 342.86242
• Monoisotopic Mass: 342.14989105
• SMILES: C1(C(=O)N(Cc2c(Cl)cccc2)C)(Cc2c(C1)cccc2)N(C)C
• Canonical SMILES: CN(C(=O)C1(Cc2c(C1)cccc2)N(C)C)Cc1ccccc1Cl
• InChI: InChI=1S/C20H23ClN2O/c1-22(2)20(12-15-8-4-5-9-16(15)13-20)19(24)23(3)14-17-10-6-7-11-18(17)21/h4-11H,12-14H2,1-3H3
• InChIKey: GOSDCTHAAQZPRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-dihydroindene-2-carboxamide
• Synonyms: N-(2-chlorobenzyl)-2-(dimethylamino)-N-methyl-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6893953
• LogD (pH = 7.4): 3.422888
• Log P: 3.978017
• Molar Refractivity: 99.4929 cm^3
• Polarizability: 38.524017 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.92
• LOG S: -3.65
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3