N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide

C26H25F3N2O3 — CID 167554100

About N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide (PubChem CID 167554100) has the molecular formula C26H25F3N2O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

• Compound Name: N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
• PubChem CID: 167554100
• Molecular Formula: C26H25F3N2O3
• Molecular Weight: 470.49 g/mol
• Exact Mass: 470.18
• IUPAC Name: N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
• SMILES: CCC(=O)N(CCOC)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2)cc1F
• InChI: InChI=1S/C26H25F3N2O3/c1-3-25(33)31(14-15-34-2)22-11-8-20(16-21(22)27)17-4-6-18(7-5-17)23(32)12-9-19-10-13-24(28)30-26(19)29/h4-8,10-11,13,16H,3,9,12,14-15H2,1-2H3
• InChIKey: YWAPUVJIUBPDCI-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 59.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.49
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide?

The IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide (CID 167554100) is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide.

What is the SMILES notation for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide?

The canonical SMILES for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide is CCC(=O)N(CCOC)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2)cc1F.

What is the InChIKey of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide?

The InChIKey is YWAPUVJIUBPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O3/c1-3-25(33)31(14-15-34-2)22-11-8-20(16-21(22)27)17-4-6-18(7-5-17)23(32)12-9-19-10-13-24(28)30-26(19)29/h4-8,10-11,13,16H,3,9,12,14-15H2,1-2H3.

What are the key properties of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide?

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide has a molecular weight of 470.49 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 167554100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).