N-{2-methoxy-5-[2-(1H-pyrazol-1-yl)propanamido]phenyl}benzamide

• ChemBase ID: 340467
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: C(=O)(C(n1nccc1)C)Nc1cc(NC(=O)c2ccccc2)c(cc1)OC
• Canonical SMILES: COc1ccc(cc1NC(=O)c1ccccc1)NC(=O)C(n1cccn1)C
• InChI: InChI=1S/C20H20N4O3/c1-14(24-12-6-11-21-24)19(25)22-16-9-10-18(27-2)17(13-16)23-20(26)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,22,25)(H,23,26)
• InChIKey: LADBDPHGWQISMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-methoxy-5-[2-(1H-pyrazol-1-yl)propanamido]phenyl}benzamide
• IUPAC Traditional name: N-{2-methoxy-5-[2-(pyrazol-1-yl)propanamido]phenyl}benzamide
• Synonyms: N-(2-methoxy-5-{[2-(1H-pyrazol-1-yl)propanoyl]amino}phenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.096268
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.8162637
• LogD (pH = 7.4): 2.8163667
• Log P: 2.8163688
• Molar Refractivity: 115.8139 cm^3
• Polarizability: 38.58269 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.57
• LOG S: -3.2
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6