[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

C23H19F2NO6 — CID 29248969

About [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (PubChem CID 29248969) has the molecular formula C23H19F2NO6 and a molecular weight of 443.40 g/mol. Its IUPAC name is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

Molecular Properties

• Compound Name: [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
• PubChem CID: 29248969
• Molecular Formula: C23H19F2NO6
• Molecular Weight: 443.40 g/mol
• Exact Mass: 443.12
• IUPAC Name: [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
• SMILES: O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC(=O)c1ccc(OC(F)F)cc1
• InChI: InChI=1S/C23H19F2NO6/c24-23(25)32-17-6-4-13(5-7-17)22(29)26-20(27)12-31-21(28)10-16-11-30-19-9-15-3-1-2-14(15)8-18(16)19/h4-9,11,23H,1-3,10,12H2,(H,26,27,29)
• InChIKey: VFHRGROJNQUWCM-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 94.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.40
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The IUPAC name of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate (CID 29248969) is [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate.

What is the SMILES notation for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The canonical SMILES for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC(=O)c1ccc(OC(F)F)cc1.

What is the InChIKey of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

The InChIKey is VFHRGROJNQUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO6/c24-23(25)32-17-6-4-13(5-7-17)22(29)26-20(27)12-31-21(28)10-16-11-30-19-9-15-3-1-2-14(15)8-18(16)19/h4-9,11,23H,1-3,10,12H2,(H,26,27,29).

What are the key properties of [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate?

[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate has a molecular weight of 443.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate is sourced from PubChem (CID 29248969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).