2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide

C18H21FN2O4 — CID 16852879

IUPAC2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C
InChIInChI=1S/C18H21FN2O4/c1-13-9-16(22)17(25-12-14-3-5-15(19)6-4-14)10-21(13)11-18(23)20-7-8-24-2/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyQGKAPABPFFKCOC-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.64
Rot. Bonds8

About 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide

2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide (PubChem CID 16852879) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
PubChem CID16852879
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C
InChIInChI=1S/C18H21FN2O4/c1-13-9-16(22)17(25-12-14-3-5-15(19)6-4-14)10-21(13)11-18(23)20-7-8-24-2/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyQGKAPABPFFKCOC-UHFFFAOYSA-N
XLogP1.64
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide (CID 16852879) is 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is QGKAPABPFFKCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-13-9-16(22)17(25-12-14-3-5-15(19)6-4-14)10-21(13)11-18(23)20-7-8-24-2/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide?
2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 348.37 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 16852879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).