1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

C23H17ClFNO2 — CID 50774338

IUPAC1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17ClFNO2/c1-14-2-4-15(5-3-14)20-21(16-6-10-18(25)11-7-16)26(23(28)22(20)27)19-12-8-17(24)9-13-19/h2-13,21,27H,1H3
InChIKeyZRKWCUZGHCJLIQ-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.84
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 50774338) has the molecular formula C23H17ClFNO2 and a molecular weight of 393.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID50774338
Molecular FormulaC23H17ClFNO2
Molecular Weight393.85 g/mol
Exact Mass393.09
IUPAC Name1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17ClFNO2/c1-14-2-4-15(5-3-14)20-21(16-6-10-18(25)11-7-16)26(23(28)22(20)27)19-12-8-17(24)9-13-19/h2-13,21,27H,1H3
InChIKeyZRKWCUZGHCJLIQ-UHFFFAOYSA-N
XLogP5.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (CID 50774338) is 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(C2=C(O)C(=O)N(c3ccc(Cl)cc3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is ZRKWCUZGHCJLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFNO2/c1-14-2-4-15(5-3-14)20-21(16-6-10-18(25)11-7-16)26(23(28)22(20)27)19-12-8-17(24)9-13-19/h2-13,21,27H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 393.85 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 50774338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).