2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide

C29H33F3N2O2 — CID 142807561

About 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide

2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide (PubChem CID 142807561) has the molecular formula C29H33F3N2O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide
• PubChem CID: 142807561
• Molecular Formula: C29H33F3N2O2
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.25
• IUPAC Name: 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide
• SMILES: Cc1ccc(CC(c2cc(C)cc(F)c2)C(C)NC(=O)C(C)(C)Oc2ccc(C(C)(F)F)cn2)cc1
• InChI: InChI=1S/C29H33F3N2O2/c1-18-7-9-21(10-8-18)15-25(22-13-19(2)14-24(30)16-22)20(3)34-27(35)28(4,5)36-26-12-11-23(17-33-26)29(6,31)32/h7-14,16-17,20,25H,15H2,1-6H3,(H,34,35)
• InChIKey: MRWLGFSXWXMKCE-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide (CID 142807561) is 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide is Cc1ccc(CC(c2cc(C)cc(F)c2)C(C)NC(=O)C(C)(C)Oc2ccc(C(C)(F)F)cn2)cc1.

What is the InChIKey of 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide?

The InChIKey is MRWLGFSXWXMKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N2O2/c1-18-7-9-21(10-8-18)15-25(22-13-19(2)14-24(30)16-22)20(3)34-27(35)28(4,5)36-26-12-11-23(17-33-26)29(6,31)32/h7-14,16-17,20,25H,15H2,1-6H3,(H,34,35).

What are the key properties of 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide?

2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide has a molecular weight of 498.59 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]-N-[3-(3-fluoro-5-methylphenyl)-4-(4-methylphenyl)butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 142807561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).