N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide

C₂₀H₁₉FN₂OSeSi — CID 152544721

About N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide

N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide (PubChem CID 152544721) has the molecular formula C₂₀H₁₉FN₂OSeSi and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide
• PubChem CID: 152544721
• Molecular Formula: C₂₀H₁₉FN₂OSeSi
• Molecular Weight: 429.43 g/mol
• Exact Mass: 430.04
• IUPAC Name: N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2nc3cc(F)ccc3[se]2)cc1C#C[Si](C)(C)C
• InChI: InChI=1S/C20H19FN2OSeSi/c1-13(24)22-17-7-5-15(11-14(17)9-10-26(2,3)4)20-23-18-12-16(21)6-8-19(18)25-20/h5-8,11-12H,1-4H3,(H,22,24)
• InChIKey: YMFWLIIWVBRWRW-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide?

The IUPAC name of N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide (CID 152544721) is N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide.

What is the SMILES notation for N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide?

The canonical SMILES for N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc3cc(F)ccc3[se]2)cc1C#C[Si](C)(C)C.

What is the InChIKey of N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide?

The InChIKey is YMFWLIIWVBRWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OSeSi/c1-13(24)22-17-7-5-15(11-14(17)9-10-26(2,3)4)20-23-18-12-16(21)6-8-19(18)25-20/h5-8,11-12H,1-4H3,(H,22,24).

What are the key properties of N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide?

N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide has a molecular weight of 429.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide is sourced from PubChem (CID 152544721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152544721 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.