3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one

C24H19ClFNO3 — CID 50743717

IUPAC3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
SMILESCOc1ccc(CN2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2ccccc2F)cc1
InChIInChI=1S/C24H19ClFNO3/c1-30-18-12-6-15(7-13-18)14-27-22(19-4-2-3-5-20(19)26)21(23(28)24(27)29)16-8-10-17(25)11-9-16/h2-13,22,28H,14H2,1H3
InChIKeySFGWKRDFUVAIRG-UHFFFAOYSA-N
MW423.87 g/mol
LogP5.54
Rot. Bonds5

About 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one

3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one (PubChem CID 50743717) has the molecular formula C24H19ClFNO3 and a molecular weight of 423.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
PubChem CID50743717
Molecular FormulaC24H19ClFNO3
Molecular Weight423.87 g/mol
Exact Mass423.10
IUPAC Name3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
SMILESCOc1ccc(CN2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2ccccc2F)cc1
InChIInChI=1S/C24H19ClFNO3/c1-30-18-12-6-15(7-13-18)14-27-22(19-4-2-3-5-20(19)26)21(23(28)24(27)29)16-8-10-17(25)11-9-16/h2-13,22,28H,14H2,1H3
InChIKeySFGWKRDFUVAIRG-UHFFFAOYSA-N
XLogP5.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.87
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one (CID 50743717) is 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one is COc1ccc(CN2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2ccccc2F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The InChIKey is SFGWKRDFUVAIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFNO3/c1-30-18-12-6-15(7-13-18)14-27-22(19-4-2-3-5-20(19)26)21(23(28)24(27)29)16-8-10-17(25)11-9-16/h2-13,22,28H,14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one?
3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one has a molecular weight of 423.87 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 50743717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).