2-(3-bromophenoxy)-N-methoxyacetamide

C₉H₁₀BrNO₃ — CID 60700558

About 2-(3-bromophenoxy)-N-methoxyacetamide

2-(3-bromophenoxy)-N-methoxyacetamide (PubChem CID 60700558) has the molecular formula C₉H₁₀BrNO₃ and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-methoxyacetamide.

Molecular Properties

• Compound Name: 2-(3-bromophenoxy)-N-methoxyacetamide
• PubChem CID: 60700558
• Molecular Formula: C₉H₁₀BrNO₃
• Molecular Weight: 260.09 g/mol
• Exact Mass: 258.98
• IUPAC Name: 2-(3-bromophenoxy)-N-methoxyacetamide
• SMILES: CONC(=O)COc1cccc(Br)c1
• InChI: InChI=1S/C9H10BrNO3/c1-13-11-9(12)6-14-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12)
• InChIKey: GFIMCVWNOMXSRL-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.09
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-methoxyacetamide?

The IUPAC name of 2-(3-bromophenoxy)-N-methoxyacetamide (CID 60700558) is 2-(3-bromophenoxy)-N-methoxyacetamide.

What is the SMILES notation for 2-(3-bromophenoxy)-N-methoxyacetamide?

The canonical SMILES for 2-(3-bromophenoxy)-N-methoxyacetamide is CONC(=O)COc1cccc(Br)c1.

What is the InChIKey of 2-(3-bromophenoxy)-N-methoxyacetamide?

The InChIKey is GFIMCVWNOMXSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-13-11-9(12)6-14-8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H,11,12).

What are the key properties of 2-(3-bromophenoxy)-N-methoxyacetamide?

2-(3-bromophenoxy)-N-methoxyacetamide has a molecular weight of 260.09 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenoxy)-N-methoxyacetamide is sourced from PubChem (CID 60700558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 60700558 — identifiers, structure, computed properties (public domain)

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