2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide

C₁₆H₁₅BrN₂O₄ — CID 57365578

About 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide

2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide (PubChem CID 57365578) has the molecular formula C₁₆H₁₅BrN₂O₄ and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
• PubChem CID: 57365578
• Molecular Formula: C₁₆H₁₅BrN₂O₄
• Molecular Weight: 379.21 g/mol
• Exact Mass: 378.02
• IUPAC Name: 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide
• SMILES: COc1cc(C=NO)c(Br)cc1OCC(=O)Nc1ccccc1
• InChI: InChI=1S/C16H15BrN2O4/c1-22-14-7-11(9-18-21)13(17)8-15(14)23-10-16(20)19-12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,19,20)
• InChIKey: KZLIZPADISFHFU-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.21
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide?

The IUPAC name of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide (CID 57365578) is 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide.

What is the SMILES notation for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide?

The canonical SMILES for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide is COc1cc(C=NO)c(Br)cc1OCC(=O)Nc1ccccc1.

What is the InChIKey of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide?

The InChIKey is KZLIZPADISFHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-22-14-7-11(9-18-21)13(17)8-15(14)23-10-16(20)19-12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,19,20).

What are the key properties of 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide?

2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 379.21 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 57365578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57365578 — identifiers, structure, computed properties (public domain)

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