N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C₁₃H₁₉ClF₂N₂O₃ — CID 119700388

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119700388) has the molecular formula C₁₃H₁₉ClF₂N₂O₃ and a molecular weight of 324.75 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
• PubChem CID: 119700388
• Molecular Formula: C₁₃H₁₉ClF₂N₂O₃
• Molecular Weight: 324.75 g/mol
• Exact Mass: 324.11
• IUPAC Name: N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
• SMILES: COCCNCC(=O)NCc1ccccc1OC(F)F.Cl
• InChI: InChI=1S/C13H18F2N2O3.ClH/c1-19-7-6-16-9-12(18)17-8-10-4-2-3-5-11(10)20-13(14)15;/h2-5,13,16H,6-9H2,1H3,(H,17,18);1H
• InChIKey: SDHJVLFZYFSTOS-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.75
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?

The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119700388) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?

The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)NCc1ccccc1OC(F)F.Cl.

What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?

The InChIKey is SDHJVLFZYFSTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3.ClH/c1-19-7-6-16-9-12(18)17-8-10-4-2-3-5-11(10)20-13(14)15;/h2-5,13,16H,6-9H2,1H3,(H,17,18);1H.

What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride?

N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 324.75 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119700388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119700388 — identifiers, structure, computed properties (public domain)

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