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

C19H16FNO4 — CID 3124205

IUPAC3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FNO4/c1-11(22)16-17(12-3-9-15(25-2)10-4-12)21(19(24)18(16)23)14-7-5-13(20)6-8-14/h3-10,17,23H,1-2H3
InChIKeyKAHAVDPIYHSQCH-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.32
Rot. Bonds4

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

3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 3124205) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID3124205
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FNO4/c1-11(22)16-17(12-3-9-15(25-2)10-4-12)21(19(24)18(16)23)14-7-5-13(20)6-8-14/h3-10,17,23H,1-2H3
InChIKeyKAHAVDPIYHSQCH-UHFFFAOYSA-N
XLogP3.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4,5-Tetrahydro-1-((4-methoxyphenyl)methyl)-2H-1-benzazepin-2-one
CID 1474984
3,3-Difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 5017692
4-acetyl-3-hydroxy-5-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2868511
3-acetyl-2-cyclohexyl-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 12093162
N-[(1R)-2-(3,5-difluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 86566371
N-[2-(3,5-difluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781228
4-Acetyl-5-(2-fluoro-phenyl)-3-hydroxy-1-(4-hydroxy-phenyl)-1,5-dihydro-pyrrol-2-one
CID 2888897
4-acetyl-5-(3-fluorophenyl)-3-hydroxy-1-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2890323
4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3124167
4-acetyl-5-(4-fluorophenyl)-3-hydroxy-1-(4-hydroxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3124168
4-acetyl-3-hydroxy-1-(4-hydroxyphenyl)-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3124177
[4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
CID 664665

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 3124205) is 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is KAHAVDPIYHSQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-11(22)16-17(12-3-9-15(25-2)10-4-12)21(19(24)18(16)23)14-7-5-13(20)6-8-14/h3-10,17,23H,1-2H3.
What are the key properties of 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 341.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3124205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).