N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide

C22H15ClF6N2O3 — CID 22050141

About N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide

N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 22050141) has the molecular formula C22H15ClF6N2O3 and a molecular weight of 504.81 g/mol. Its IUPAC name is N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide
• PubChem CID: 22050141
• Molecular Formula: C22H15ClF6N2O3
• Molecular Weight: 504.81 g/mol
• Exact Mass: 504.07
• IUPAC Name: N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide
• SMILES: Cc1cc(OCc2ccc(F)cc2CNC(=O)C(F)(F)F)c(Cl)c(=O)n1-c1c(F)cccc1F
• InChI: InChI=1S/C22H15ClF6N2O3/c1-11-7-17(18(23)20(32)31(11)19-15(25)3-2-4-16(19)26)34-10-12-5-6-14(24)8-13(12)9-30-21(33)22(27,28)29/h2-8H,9-10H2,1H3,(H,30,33)
• InChIKey: QVTYAZWKRKCXLL-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.81
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide (CID 22050141) is N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide is Cc1cc(OCc2ccc(F)cc2CNC(=O)C(F)(F)F)c(Cl)c(=O)n1-c1c(F)cccc1F.

What is the InChIKey of N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide?

The InChIKey is QVTYAZWKRKCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF6N2O3/c1-11-7-17(18(23)20(32)31(11)19-15(25)3-2-4-16(19)26)34-10-12-5-6-14(24)8-13(12)9-30-21(33)22(27,28)29/h2-8H,9-10H2,1H3,(H,30,33).

What are the key properties of N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide?

N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 504.81 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[[3-chloro-1-(2,6-difluorophenyl)-6-methyl-2-oxo-4-pyridinyl]oxymethyl]-5-fluorophenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22050141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).