3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one

C18H16FNO2 — CID 10017519

IUPAC3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC(c3ccc(F)cc3)=C(C)C2=O)cc1
InChIInChI=1S/C18H16FNO2/c1-12-17(13-3-5-14(19)6-4-13)11-20(18(12)21)15-7-9-16(22-2)10-8-15/h3-10H,11H2,1-2H3
InChIKeyZFOZBZLDXNOVAT-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.65
Rot. Bonds3

About 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one

3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one (PubChem CID 10017519) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one
PubChem CID10017519
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one
SMILESCOc1ccc(N2CC(c3ccc(F)cc3)=C(C)C2=O)cc1
InChIInChI=1S/C18H16FNO2/c1-12-17(13-3-5-14(19)6-4-13)11-20(18(12)21)15-7-9-16(22-2)10-8-15/h3-10H,11H2,1-2H3
InChIKeyZFOZBZLDXNOVAT-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-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 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one (CID 10017519) is 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one is COc1ccc(N2CC(c3ccc(F)cc3)=C(C)C2=O)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one?
The InChIKey is ZFOZBZLDXNOVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12-17(13-3-5-14(19)6-4-13)11-20(18(12)21)15-7-9-16(22-2)10-8-15/h3-10H,11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one?
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one has a molecular weight of 297.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 10017519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).