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

C19H16BrNO3 — CID 3796276

IUPAC3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3/c1-11-3-9-15(10-4-11)21-17(13-5-7-14(20)8-6-13)16(12(2)22)18(23)19(21)24/h3-10,17,23H,1-2H3
InChIKeyDNMIVGPRKRLQLY-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.25
Rot. Bonds3

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

3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 3796276) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID3796276
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1
InChIInChI=1S/C19H16BrNO3/c1-11-3-9-15(10-4-11)21-17(13-5-7-14(20)8-6-13)16(12(2)22)18(23)19(21)24/h3-10,17,23H,1-2H3
InChIKeyDNMIVGPRKRLQLY-UHFFFAOYSA-N
XLogP4.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one (CID 3796276) is 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1.
What is the InChIKey of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is DNMIVGPRKRLQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-11-3-9-15(10-4-11)21-17(13-5-7-14(20)8-6-13)16(12(2)22)18(23)19(21)24/h3-10,17,23H,1-2H3.
What are the key properties of 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 386.25 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(4-bromophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3796276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).