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

C19H16FNO3 — CID 2891204

IUPAC3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO3/c1-12(22)16-17(14-7-9-15(20)10-8-14)21(19(24)18(16)23)11-13-5-3-2-4-6-13/h2-10,17,23H,11H2,1H3
InChIKeyRGYWIDQGVHRDLH-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.31
Rot. Bonds4

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

3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 2891204) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID2891204
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C19H16FNO3/c1-12(22)16-17(14-7-9-15(20)10-8-14)21(19(24)18(16)23)11-13-5-3-2-4-6-13/h2-10,17,23H,11H2,1H3
InChIKeyRGYWIDQGVHRDLH-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 2891204) is 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is RGYWIDQGVHRDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-12(22)16-17(14-7-9-15(20)10-8-14)21(19(24)18(16)23)11-13-5-3-2-4-6-13/h2-10,17,23H,11H2,1H3.
What are the key properties of 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 325.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-benzyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 2891204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).