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

C20H19FN2OSeSi — CID 152544721

IUPACN-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(F)ccc3[se]2)cc1C#C[Si](C)(C)C
InChIInChI=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)
InChIKeyYMFWLIIWVBRWRW-UHFFFAOYSA-N
MW429.43 g/mol
LogP4.29
Rot. Bonds2

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 NameN-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide
PubChem CID152544721
Molecular FormulaC20H19FN2OSeSi
Molecular Weight429.43 g/mol
Exact Mass430.04
IUPAC NameN-[4-(5-fluoro-1,3-benzoselenazol-2-yl)-2-(2-trimethylsilylethynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc3cc(F)ccc3[se]2)cc1C#C[Si](C)(C)C
InChIInChI=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)
InChIKeyYMFWLIIWVBRWRW-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).