N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide

C36H32F2N2O5 — CID 135354281

About N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide

N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide (PubChem CID 135354281) has the molecular formula C36H32F2N2O5 and a molecular weight of 610.66 g/mol. Its IUPAC name is N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide
• PubChem CID: 135354281
• Molecular Formula: C36H32F2N2O5
• Molecular Weight: 610.66 g/mol
• Exact Mass: 610.23
• IUPAC Name: N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide
• SMILES: CCOc1cc(=O)n(C)cc1-c1cc(C(CCNC(=O)c2ccccc2O)c2ccccc2)ccc1Oc1ccc(F)cc1F
• InChI: InChI=1S/C36H32F2N2O5/c1-3-44-34-21-35(42)40(2)22-29(34)28-19-24(13-15-32(28)45-33-16-14-25(37)20-30(33)38)26(23-9-5-4-6-10-23)17-18-39-36(43)27-11-7-8-12-31(27)41/h4-16,19-22,26,41H,3,17-18H2,1-2H3,(H,39,43)
• InChIKey: IMBYUEIEZQBABA-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 89.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.66
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide?

The IUPAC name of N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide (CID 135354281) is N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide.

What is the SMILES notation for N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide?

The canonical SMILES for N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide is CCOc1cc(=O)n(C)cc1-c1cc(C(CCNC(=O)c2ccccc2O)c2ccccc2)ccc1Oc1ccc(F)cc1F.

What is the InChIKey of N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide?

The InChIKey is IMBYUEIEZQBABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F2N2O5/c1-3-44-34-21-35(42)40(2)22-29(34)28-19-24(13-15-32(28)45-33-16-14-25(37)20-30(33)38)26(23-9-5-4-6-10-23)17-18-39-36(43)27-11-7-8-12-31(27)41/h4-16,19-22,26,41H,3,17-18H2,1-2H3,(H,39,43).

What are the key properties of N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide?

N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide has a molecular weight of 610.66 g/mol, XLogP of 7.18, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-3-phenylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 135354281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).