3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide

C29H24F2N2O2 — CID 4019115

About 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide

3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 4019115) has the molecular formula C29H24F2N2O2 and a molecular weight of 470.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 4019115
• Molecular Formula: C29H24F2N2O2
• Molecular Weight: 470.52 g/mol
• Exact Mass: 470.18
• IUPAC Name: 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
• SMILES: O=C(CC(c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1
• InChI: InChI=1S/C29H24F2N2O2/c30-22-11-7-20(8-12-22)18-33-19-27(25-5-1-2-6-28(25)33)26(21-9-13-23(31)14-10-21)16-29(34)32-17-24-4-3-15-35-24/h1-15,19,26H,16-18H2,(H,32,34)
• InChIKey: RDOCIVIDPYDDKM-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 47.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.52
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 4019115) is 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide is O=C(CC(c1ccc(F)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1.

What is the InChIKey of 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide?

The InChIKey is RDOCIVIDPYDDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N2O2/c30-22-11-7-20(8-12-22)18-33-19-27(25-5-1-2-6-28(25)33)26(21-9-13-23(31)14-10-21)16-29(34)32-17-24-4-3-15-35-24/h1-15,19,26H,16-18H2,(H,32,34).

What are the key properties of 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide?

3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 470.52 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 4019115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).