3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one

C18H14BrNO3 — CID 2868899

IUPAC3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C18H14BrNO3/c1-11(21)15-16(12-5-3-2-4-6-12)20(18(23)17(15)22)14-9-7-13(19)8-10-14/h2-10,16,22H,1H3
InChIKeyZPDBCSBRGPFHKZ-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.94
Rot. Bonds3

About 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one

3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (PubChem CID 2868899) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
PubChem CID2868899
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Name3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1c1ccccc1
InChIInChI=1S/C18H14BrNO3/c1-11(21)15-16(12-5-3-2-4-6-12)20(18(23)17(15)22)14-9-7-13(19)8-10-14/h2-10,16,22H,1H3
InChIKeyZPDBCSBRGPFHKZ-UHFFFAOYSA-N
XLogP3.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (CID 2868899) is 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1c1ccccc1.
What is the InChIKey of 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The InChIKey is ZPDBCSBRGPFHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c1-11(21)15-16(12-5-3-2-4-6-12)20(18(23)17(15)22)14-9-7-13(19)8-10-14/h2-10,16,22H,1H3.
What are the key properties of 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one has a molecular weight of 372.22 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 2868899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).