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

C19H16ClNO3 — CID 155553428

IUPAC3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO3/c1-11-6-8-15(9-7-11)21-17(13-4-3-5-14(20)10-13)16(12(2)22)18(23)19(21)24/h3-10,17,23H,1-2H3
InChIKeyQBFPLWKBLBQKTJ-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.14
Rot. Bonds3

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

3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one (PubChem CID 155553428) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
PubChem CID155553428
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO3/c1-11-6-8-15(9-7-11)21-17(13-4-3-5-14(20)10-13)16(12(2)22)18(23)19(21)24/h3-10,17,23H,1-2H3
InChIKeyQBFPLWKBLBQKTJ-UHFFFAOYSA-N
XLogP4.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one (CID 155553428) is 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1cccc(Cl)c1.
What is the InChIKey of 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
The InChIKey is QBFPLWKBLBQKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-11-6-8-15(9-7-11)21-17(13-4-3-5-14(20)10-13)16(12(2)22)18(23)19(21)24/h3-10,17,23H,1-2H3.
What are the key properties of 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one?
3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one has a molecular weight of 341.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(3-chlorophenyl)-4-hydroxy-1-(4-methylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 155553428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).