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

C24H20FNO2 — CID 50773859

IUPAC1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2c2cccc(F)c2)cc1
InChIInChI=1S/C24H20FNO2/c1-16-10-12-18(13-11-16)21-22(19-8-5-9-20(25)14-19)26(24(28)23(21)27)15-17-6-3-2-4-7-17/h2-14,22,27H,15H2,1H3
InChIKeyDXUVBKFAPIIRSZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.19
Rot. Bonds4

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

1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 50773859) has the molecular formula C24H20FNO2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID50773859
Molecular FormulaC24H20FNO2
Molecular Weight373.43 g/mol
Exact Mass373.15
IUPAC Name1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2c2cccc(F)c2)cc1
InChIInChI=1S/C24H20FNO2/c1-16-10-12-18(13-11-16)21-22(19-8-5-9-20(25)14-19)26(24(28)23(21)27)15-17-6-3-2-4-7-17/h2-14,22,27H,15H2,1H3
InChIKeyDXUVBKFAPIIRSZ-UHFFFAOYSA-N
XLogP5.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one (CID 50773859) is 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)C2c2cccc(F)c2)cc1.
What is the InChIKey of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is DXUVBKFAPIIRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO2/c1-16-10-12-18(13-11-16)21-22(19-8-5-9-20(25)14-19)26(24(28)23(21)27)15-17-6-3-2-4-7-17/h2-14,22,27H,15H2,1H3.
What are the key properties of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one?
1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 373.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 50773859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).