2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide

C₁₀H₁₁FN₂O₃ — CID 60717185

About 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide

2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide (PubChem CID 60717185) has the molecular formula C₁₀H₁₁FN₂O₃ and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
• PubChem CID: 60717185
• Molecular Formula: C₁₀H₁₁FN₂O₃
• Molecular Weight: 226.21 g/mol
• Exact Mass: 226.08
• IUPAC Name: 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
• SMILES: CONC(=O)CNC(=O)c1ccccc1F
• InChI: InChI=1S/C10H11FN2O3/c1-16-13-9(14)6-12-10(15)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,15)(H,13,14)
• InChIKey: JUBFOMYQWHSHQG-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.21
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	2
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-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide?

The IUPAC name of 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide (CID 60717185) is 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide?

The canonical SMILES for 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide is CONC(=O)CNC(=O)c1ccccc1F.

What is the InChIKey of 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide?

The InChIKey is JUBFOMYQWHSHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-16-13-9(14)6-12-10(15)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,15)(H,13,14).

What are the key properties of 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide?

2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide has a molecular weight of 226.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 60717185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 60717185 — identifiers, structure, computed properties (public domain)

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