N-{2-[(2-chlorophenyl)formamido]ethyl}-2-(dimethylamino)-2-(4-methylphenyl)acetamide

• ChemBase ID: 839688
• Molecular Formular: C20H24ClN3O2
• Molecular Mass: 373.87646
• Monoisotopic Mass: 373.1557047
• SMILES: c1(C(=O)NCCNC(=O)C(c2ccc(cc2)C)N(C)C)c(Cl)cccc1
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NCCNC(=O)c1ccccc1Cl)C
• InChI: InChI=1S/C20H24ClN3O2/c1-14-8-10-15(11-9-14)18(24(2)3)20(26)23-13-12-22-19(25)16-6-4-5-7-17(16)21/h4-11,18H,12-13H2,1-3H3,(H,22,25)(H,23,26)
• InChIKey: FMXHBFJKWSJDMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2-chlorophenyl)formamido]ethyl}-2-(dimethylamino)-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: N-{2-[(2-chlorophenyl)formamido]ethyl}-2-(dimethylamino)-2-(4-methylphenyl)acetamide
• Synonyms: 2-chloro-N-(2-{[(dimethylamino)(4-methylphenyl)acetyl]amino}ethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.557452
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1390709
• LogD (pH = 7.4): 2.7236397
• Log P: 3.014819
• Molar Refractivity: 105.0596 cm^3
• Polarizability: 40.18127 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.58
• LOG S: -4.13
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7