2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide

C17H18BrN3O5 — CID 42934712

About 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide (PubChem CID 42934712) has the molecular formula C17H18BrN3O5 and a molecular weight of 424.25 g/mol. Its IUPAC name is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide
• PubChem CID: 42934712
• Molecular Formula: C17H18BrN3O5
• Molecular Weight: 424.25 g/mol
• Exact Mass: 423.04
• IUPAC Name: 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide
• SMILES: CCOc1cc2c(cc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)OC(C)C2
• InChI: InChI=1S/C17H18BrN3O5/c1-3-25-14-5-10-4-9(2)26-13(10)6-12(14)19-15(22)8-21-7-11(18)16(23)20-17(21)24/h5-7,9H,3-4,8H2,1-2H3,(H,19,22)(H,20,23,24)
• InChIKey: SYMFTLFJWSLENE-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 102.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.25
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide?

The IUPAC name of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide (CID 42934712) is 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide.

What is the SMILES notation for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide?

The canonical SMILES for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide is CCOc1cc2c(cc1NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)OC(C)C2.

What is the InChIKey of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide?

The InChIKey is SYMFTLFJWSLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O5/c1-3-25-14-5-10-4-9(2)26-13(10)6-12(14)19-15(22)8-21-7-11(18)16(23)20-17(21)24/h5-7,9H,3-4,8H2,1-2H3,(H,19,22)(H,20,23,24).

What are the key properties of 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide?

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide has a molecular weight of 424.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide is sourced from PubChem (CID 42934712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).