5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

C25H22F2N2O3 — CID 42753728

About 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (PubChem CID 42753728) has the molecular formula C25H22F2N2O3 and a molecular weight of 436.46 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
• PubChem CID: 42753728
• Molecular Formula: C25H22F2N2O3
• Molecular Weight: 436.46 g/mol
• Exact Mass: 436.16
• IUPAC Name: 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
• SMILES: O=C(NCc1ccco1)c1ccc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)o1
• InChI: InChI=1S/C25H22F2N2O3/c26-20-8-6-18(7-9-20)15-29(16-19-3-1-4-21(27)13-19)17-23-10-11-24(32-23)25(30)28-14-22-5-2-12-31-22/h1-13H,14-17H2,(H,28,30)
• InChIKey: HVJFDOMEOIOXCY-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 58.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.46
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?

The IUPAC name of 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide (CID 42753728) is 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide.

What is the SMILES notation for 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?

The canonical SMILES for 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is O=C(NCc1ccco1)c1ccc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)o1.

What is the InChIKey of 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?

The InChIKey is HVJFDOMEOIOXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3/c26-20-8-6-18(7-9-20)15-29(16-19-3-1-4-21(27)13-19)17-23-10-11-24(32-23)25(30)28-14-22-5-2-12-31-22/h1-13H,14-17H2,(H,28,30).

What are the key properties of 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide?

5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 42753728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).