N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide

C22H24FNO2 — CID 54149678

About N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide

N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide (PubChem CID 54149678) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
• PubChem CID: 54149678
• Molecular Formula: C22H24FNO2
• Molecular Weight: 353.44 g/mol
• Exact Mass: 353.18
• IUPAC Name: N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
• SMILES: CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C=Cc1ccc(F)cc1)O2
• InChI: InChI=1S/C22H24FNO2/c1-13-14(2)21-19(15(3)20(13)24-16(4)25)12-22(5,26-21)11-10-17-6-8-18(23)9-7-17/h6-11H,12H2,1-5H3,(H,24,25)
• InChIKey: OGWGJZYBRMWIFN-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.44
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?

The IUPAC name of N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide (CID 54149678) is N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide.

What is the SMILES notation for N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?

The canonical SMILES for N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide is CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C=Cc1ccc(F)cc1)O2.

What is the InChIKey of N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?

The InChIKey is OGWGJZYBRMWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-13-14(2)21-19(15(3)20(13)24-16(4)25)12-22(5,26-21)11-10-17-6-8-18(23)9-7-17/h6-11H,12H2,1-5H3,(H,24,25).

What are the key properties of N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?

N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide has a molecular weight of 353.44 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-fluorophenyl)ethenyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide is sourced from PubChem (CID 54149678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).