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

C25H29FN2O2 — CID 42753699

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

5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 42753699) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
• PubChem CID: 42753699
• Molecular Formula: C25H29FN2O2
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.22
• IUPAC Name: 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
• SMILES: Cc1ccc(CN(Cc2cccc(F)c2)Cc2ccc(C(=O)NCC(C)C)o2)cc1
• InChI: InChI=1S/C25H29FN2O2/c1-18(2)14-27-25(29)24-12-11-23(30-24)17-28(15-20-9-7-19(3)8-10-20)16-21-5-4-6-22(26)13-21/h4-13,18H,14-17H2,1-3H3,(H,27,29)
• InChIKey: PRXLSWHXFOKCGU-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 42753699) is 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide.

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

The canonical SMILES for 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide is Cc1ccc(CN(Cc2cccc(F)c2)Cc2ccc(C(=O)NCC(C)C)o2)cc1.

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

The InChIKey is PRXLSWHXFOKCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-18(2)14-27-25(29)24-12-11-23(30-24)17-28(15-20-9-7-19(3)8-10-20)16-21-5-4-6-22(26)13-21/h4-13,18H,14-17H2,1-3H3,(H,27,29).

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

5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 42753699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).