3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide

C30H32F5N3O7 — CID 162437472

About 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide

3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide (PubChem CID 162437472) has the molecular formula C30H32F5N3O7 and a molecular weight of 641.59 g/mol. Its IUPAC name is 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide
• PubChem CID: 162437472
• Molecular Formula: C30H32F5N3O7
• Molecular Weight: 641.59 g/mol
• Exact Mass: 641.22
• IUPAC Name: 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide
• SMILES: CNC(=O)c1ccc(OC(F)(F)F)cc1.COCC(CO)n1ccc(C)c(N2CC(c3c(F)cc(OC)cc3F)CC2=O)c1=O
• InChI: InChI=1S/C21H24F2N2O5.C9H8F3NO2/c1-12-4-5-24(14(10-26)11-29-2)21(28)20(12)25-9-13(6-18(25)27)19-16(22)7-15(30-3)8-17(19)23;1-13-8(14)6-2-4-7(5-3-6)15-9(10,11)12/h4-5,7-8,13-14,26H,6,9-11H2,1-3H3;2-5H,1H3,(H,13,14)
• InChIKey: PBNRXAJAXFHVLP-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 119.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.59
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide?

The IUPAC name of 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide (CID 162437472) is 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide.

What is the SMILES notation for 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide?

The canonical SMILES for 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide is CNC(=O)c1ccc(OC(F)(F)F)cc1.COCC(CO)n1ccc(C)c(N2CC(c3c(F)cc(OC)cc3F)CC2=O)c1=O.

What is the InChIKey of 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide?

The InChIKey is PBNRXAJAXFHVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O5.C9H8F3NO2/c1-12-4-5-24(14(10-26)11-29-2)21(28)20(12)25-9-13(6-18(25)27)19-16(22)7-15(30-3)8-17(19)23;1-13-8(14)6-2-4-7(5-3-6)15-9(10,11)12/h4-5,7-8,13-14,26H,6,9-11H2,1-3H3;2-5H,1H3,(H,13,14).

What are the key properties of 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide?

3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide has a molecular weight of 641.59 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-1-(1-hydroxy-3-methoxypropan-2-yl)-4-methylpyridin-2-one;N-methyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 162437472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).