3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C26H23FN2O5 — CID 50759331

About 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 50759331) has the molecular formula C26H23FN2O5 and a molecular weight of 462.48 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 50759331
• Molecular Formula: C26H23FN2O5
• Molecular Weight: 462.48 g/mol
• Exact Mass: 462.16
• IUPAC Name: 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
• SMILES: O=C(Nc1c(C(=O)N(Cc2ccco2)CC2CCCO2)oc2ccccc12)c1ccc(F)cc1
• InChI: InChI=1S/C26H23FN2O5/c27-18-11-9-17(10-12-18)25(30)28-23-21-7-1-2-8-22(21)34-24(23)26(31)29(15-19-5-3-13-32-19)16-20-6-4-14-33-20/h1-3,5,7-13,20H,4,6,14-16H2,(H,28,30)
• InChIKey: MFHHUVZHEMIUKA-UHFFFAOYSA-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-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 50759331) is 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)N(Cc2ccco2)CC2CCCO2)oc2ccccc12)c1ccc(F)cc1.

What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?

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

What are the key properties of 3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?

3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-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-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50759331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).