3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

C26H23FN2O5 — CID 92745650

About 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide

3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 92745650) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 92745650
• Molecular Formula: C26H23FN2O5
• Molecular Weight: 462.48 g/mol
• Exact Mass: 462.16
• IUPAC Name: 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
• SMILES: O=C(Nc1c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)oc2ccccc12)c1ccccc1F
• InChI: InChI=1S/C26H23FN2O5/c27-21-11-3-1-9-19(21)25(30)28-23-20-10-2-4-12-22(20)34-24(23)26(31)29(15-17-7-5-13-32-17)16-18-8-6-14-33-18/h1-5,7,9-13,18H,6,8,14-16H2,(H,28,30)/t18-/m1/s1
• InChIKey: HJZQONKETMJIDE-GOSISDBHSA-N
• XLogP: 5.24
• TPSA: 84.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.48
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 92745650) is 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)oc2ccccc12)c1ccccc1F.

What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?

The InChIKey is HJZQONKETMJIDE-GOSISDBHSA-N. The full InChI is InChI=1S/C26H23FN2O5/c27-21-11-3-1-9-19(21)25(30)28-23-20-10-2-4-12-22(20)34-24(23)26(31)29(15-17-7-5-13-32-17)16-18-8-6-14-33-18/h1-5,7,9-13,18H,6,8,14-16H2,(H,28,30)/t18-/m1/s1.

What are the key properties of 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide?

3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 92745650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).