N-[(2-chlorophenyl)methyl]-2-(morpholin-2-yl)-N-(propan-2-yl)acetamide

• ChemBase ID: 589765
• Molecular Formular: C16H23ClN2O2
• Molecular Mass: 310.81902
• Monoisotopic Mass: 310.14480567
• SMILES: C(=O)(N(Cc1c(Cl)cccc1)C(C)C)CC1OCCNC1
• Canonical SMILES: CC(N(C(=O)CC1CNCCO1)Cc1ccccc1Cl)C
• InChI: InChI=1S/C16H23ClN2O2/c1-12(2)19(11-13-5-3-4-6-15(13)17)16(20)9-14-10-18-7-8-21-14/h3-6,12,14,18H,7-11H2,1-2H3
• InChIKey: IICXDFJXQVKROF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chlorophenyl)methyl]-2-(morpholin-2-yl)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-[(2-chlorophenyl)methyl]-N-isopropyl-2-(morpholin-2-yl)acetamide
• Synonyms: N-(2-chlorobenzyl)-N-isopropyl-2-morpholin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.66100216
• LogD (pH = 7.4): 1.0278275
• Log P: 2.1056945
• Molar Refractivity: 84.4225 cm^3
• Polarizability: 33.310333 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.5
• LOG S: -3.6
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5