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

C32H26F2N2O4 — CID 118116830

IUPACN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2ccc3ccccc3c2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C32H26F2N2O4/c1-3-39-30-18-32(38)36(2)19-26(30)25-17-24(11-13-28(25)40-29-12-10-23(33)16-27(29)34)35-31(37)15-20-8-9-21-6-4-5-7-22(21)14-20/h4-14,16-19H,3,15H2,1-2H3,(H,35,37)
InChIKeyOTKPBQUWNARGFY-UHFFFAOYSA-N
MW540.57 g/mol
LogP6.86
Rot. Bonds8

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

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide (PubChem CID 118116830) has the molecular formula C32H26F2N2O4 and a molecular weight of 540.57 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide
PubChem CID118116830
Molecular FormulaC32H26F2N2O4
Molecular Weight540.57 g/mol
Exact Mass540.19
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2ccc3ccccc3c2)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C32H26F2N2O4/c1-3-39-30-18-32(38)36(2)19-26(30)25-17-24(11-13-28(25)40-29-12-10-23(33)16-27(29)34)35-31(37)15-20-8-9-21-6-4-5-7-22(21)14-20/h4-14,16-19H,3,15H2,1-2H3,(H,35,37)
InChIKeyOTKPBQUWNARGFY-UHFFFAOYSA-N
XLogP6.86
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide (CID 118116830) is N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide is CCOc1cc(=O)n(C)cc1-c1cc(NC(=O)Cc2ccc3ccccc3c2)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide?
The InChIKey is OTKPBQUWNARGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N2O4/c1-3-39-30-18-32(38)36(2)19-26(30)25-17-24(11-13-28(25)40-29-12-10-23(33)16-27(29)34)35-31(37)15-20-8-9-21-6-4-5-7-22(21)14-20/h4-14,16-19H,3,15H2,1-2H3,(H,35,37).
What are the key properties of N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide?
N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide has a molecular weight of 540.57 g/mol, XLogP of 6.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 118116830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).