1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one

C21H20FNO3 — CID 155518189

IUPAC1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one
SMILESCC(COc1ccccc1)COc1ccn(-c2ccc(F)cc2)c(=O)c1
InChIInChI=1S/C21H20FNO3/c1-16(14-25-19-5-3-2-4-6-19)15-26-20-11-12-23(21(24)13-20)18-9-7-17(22)8-10-18/h2-13,16H,14-15H2,1H3
InChIKeyAWLSYGBVBZUGBY-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.07
Rot. Bonds7

About 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one

1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one (PubChem CID 155518189) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one
PubChem CID155518189
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one
SMILESCC(COc1ccccc1)COc1ccn(-c2ccc(F)cc2)c(=O)c1
InChIInChI=1S/C21H20FNO3/c1-16(14-25-19-5-3-2-4-6-19)15-26-20-11-12-23(21(24)13-20)18-9-7-17(22)8-10-18/h2-13,16H,14-15H2,1H3
InChIKeyAWLSYGBVBZUGBY-UHFFFAOYSA-N
XLogP4.07
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)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 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one (CID 155518189) is 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one is CC(COc1ccccc1)COc1ccn(-c2ccc(F)cc2)c(=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one?
The InChIKey is AWLSYGBVBZUGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-16(14-25-19-5-3-2-4-6-19)15-26-20-11-12-23(21(24)13-20)18-9-7-17(22)8-10-18/h2-13,16H,14-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one?
1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one has a molecular weight of 353.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2-methyl-3-phenoxypropoxy)pyridin-2-one is sourced from PubChem (CID 155518189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).