N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide

C27H22N2O5 — CID 4833101

About N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide

N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide (PubChem CID 4833101) has the molecular formula C27H22N2O5 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide
• PubChem CID: 4833101
• Molecular Formula: C27H22N2O5
• Molecular Weight: 454.48 g/mol
• Exact Mass: 454.15
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide
• SMILES: O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
• InChI: InChI=1S/C27H22N2O5/c30-26(12-18-14-32-24-11-17-5-3-4-16(17)10-21(18)24)29-22-7-2-1-6-20(22)27(31)28-19-8-9-23-25(13-19)34-15-33-23/h1-2,6-11,13-14H,3-5,12,15H2,(H,28,31)(H,29,30)
• InChIKey: DUSNTYRIQQXYFA-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 89.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.48
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide (CID 4833101) is N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide is O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide?

The InChIKey is DUSNTYRIQQXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5/c30-26(12-18-14-32-24-11-17-5-3-4-16(17)10-21(18)24)29-22-7-2-1-6-20(22)27(31)28-19-8-9-23-25(13-19)34-15-33-23/h1-2,6-11,13-14H,3-5,12,15H2,(H,28,31)(H,29,30).

What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide?

N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide has a molecular weight of 454.48 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4833101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).