4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one

C16H16FNO3 — CID 135252442

IUPAC4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one
SMILESCCOc1cc(=O)[nH]cc1-c1ccc(CC(C)=O)c(F)c1
InChIInChI=1S/C16H16FNO3/c1-3-21-15-8-16(20)18-9-13(15)11-4-5-12(6-10(2)19)14(17)7-11/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)
InChIKeySLWHVDKKCOLRGQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.71
Rot. Bonds5

About 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one

4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one (PubChem CID 135252442) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one
PubChem CID135252442
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one
SMILESCCOc1cc(=O)[nH]cc1-c1ccc(CC(C)=O)c(F)c1
InChIInChI=1S/C16H16FNO3/c1-3-21-15-8-16(20)18-9-13(15)11-4-5-12(6-10(2)19)14(17)7-11/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)
InChIKeySLWHVDKKCOLRGQ-UHFFFAOYSA-N
XLogP2.71
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one (CID 135252442) is 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one is CCOc1cc(=O)[nH]cc1-c1ccc(CC(C)=O)c(F)c1.
What is the InChIKey of 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one?
The InChIKey is SLWHVDKKCOLRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-21-15-8-16(20)18-9-13(15)11-4-5-12(6-10(2)19)14(17)7-11/h4-5,7-9H,3,6H2,1-2H3,(H,18,20).
What are the key properties of 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one?
4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one has a molecular weight of 289.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-[3-fluoro-4-(2-oxopropyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 135252442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).