2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

C26H20N2O2 — CID 46554269

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (PubChem CID 46554269) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
• PubChem CID: 46554269
• Molecular Formula: C26H20N2O2
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.15
• IUPAC Name: 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
• SMILES: O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc(C#Cc2ccccn2)c1
• InChI: InChI=1S/C26H20N2O2/c29-26(16-21-17-30-25-15-20-7-4-6-19(20)14-24(21)25)28-23-9-3-5-18(13-23)10-11-22-8-1-2-12-27-22/h1-3,5,8-9,12-15,17H,4,6-7,16H2,(H,28,29)
• InChIKey: JNZZTAGZYXZRHY-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (CID 46554269) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc(C#Cc2ccccn2)c1.

What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?

The InChIKey is JNZZTAGZYXZRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c29-26(16-21-17-30-25-15-20-7-4-6-19(20)14-24(21)25)28-23-9-3-5-18(13-23)10-11-22-8-1-2-12-27-22/h1-3,5,8-9,12-15,17H,4,6-7,16H2,(H,28,29).

What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is sourced from PubChem (CID 46554269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).