N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C23H24BrNO4 — CID 27447213

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 27447213) has the molecular formula C23H24BrNO4 and a molecular weight of 458.35 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• PubChem CID: 27447213
• Molecular Formula: C23H24BrNO4
• Molecular Weight: 458.35 g/mol
• Exact Mass: 457.09
• IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
• SMILES: COc1cc(Br)c(CCNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1OC
• InChI: InChI=1S/C23H24BrNO4/c1-27-21-10-16(19(24)12-22(21)28-2)6-7-25-23(26)11-17-13-29-20-9-15-5-3-4-14(15)8-18(17)20/h8-10,12-13H,3-7,11H2,1-2H3,(H,25,26)
• InChIKey: INEMEVFLPUIXOK-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 60.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.35
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 27447213) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is COc1cc(Br)c(CCNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1OC.

What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

The InChIKey is INEMEVFLPUIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO4/c1-27-21-10-16(19(24)12-22(21)28-2)6-7-25-23(26)11-17-13-29-20-9-15-5-3-4-14(15)8-18(17)20/h8-10,12-13H,3-7,11H2,1-2H3,(H,25,26).

What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 458.35 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 27447213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).