2-[4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]-N-(pyridin-3-yl)acetamide

• ChemBase ID: 530241
• Molecular Formular: C19H20ClN3O3
• Molecular Mass: 373.8334
• Monoisotopic Mass: 373.1193192
• SMILES: N1(C(=O)c2cc(c(cc2)C)Cl)C(CC(=O)Nc2cnccc2)COCC1
• Canonical SMILES: O=C(CC1COCCN1C(=O)c1ccc(c(c1)Cl)C)Nc1cccnc1
• InChI: InChI=1S/C19H20ClN3O3/c1-13-4-5-14(9-17(13)20)19(25)23-7-8-26-12-16(23)10-18(24)22-15-3-2-6-21-11-15/h2-6,9,11,16H,7-8,10,12H2,1H3,(H,22,24)
• InChIKey: UDFZPWCBHYZTEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]-N-(pyridin-3-yl)acetamide
• IUPAC Traditional name: 2-[4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]-N-(pyridin-3-yl)acetamide
• Synonyms: 2-[4-(3-chloro-4-methylbenzoyl)-3-morpholinyl]-N-3-pyridinylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.65962
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1329978
• LogD (pH = 7.4): 2.1612191
• Log P: 2.1615965
• Molar Refractivity: 100.4249 cm^3
• Polarizability: 37.74142 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.38
• LOG S: -3.1
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4