5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C27H24F2N2O2 — CID 3908197

About 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 3908197) has the molecular formula C27H24F2N2O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
• PubChem CID: 3908197
• Molecular Formula: C27H24F2N2O2
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.18
• IUPAC Name: 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
• SMILES: O=C(NCc1ccc(F)cc1)c1ccc(CN(Cc2ccccc2)Cc2ccccc2F)o1
• InChI: InChI=1S/C27H24F2N2O2/c28-23-12-10-20(11-13-23)16-30-27(32)26-15-14-24(33-26)19-31(17-21-6-2-1-3-7-21)18-22-8-4-5-9-25(22)29/h1-15H,16-19H2,(H,30,32)
• InChIKey: KGUYOUOVHQJCDG-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?

The IUPAC name of 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 3908197) is 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(CN(Cc2ccccc2)Cc2ccccc2F)o1.

What is the InChIKey of 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?

The InChIKey is KGUYOUOVHQJCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O2/c28-23-12-10-20(11-13-23)16-30-27(32)26-15-14-24(33-26)19-31(17-21-6-2-1-3-7-21)18-22-8-4-5-9-25(22)29/h1-15H,16-19H2,(H,30,32).

What are the key properties of 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?

5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3908197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).