3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C18H20Cl2N2O4 — CID 2910237

IUPAC3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4/c1-11(23)15-16(13-3-2-12(19)10-14(13)20)22(18(25)17(15)24)5-4-21-6-8-26-9-7-21/h2-3,10,16,24H,4-9H2,1H3
InChIKeyUMLQWBVJIJUAJF-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.61
Rot. Bonds5

About 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 2910237) has the molecular formula C18H20Cl2N2O4 and a molecular weight of 399.27 g/mol. Its IUPAC name is 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID2910237
Molecular FormulaC18H20Cl2N2O4
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4/c1-11(23)15-16(13-3-2-12(19)10-14(13)20)22(18(25)17(15)24)5-4-21-6-8-26-9-7-21/h2-3,10,16,24H,4-9H2,1H3
InChIKeyUMLQWBVJIJUAJF-UHFFFAOYSA-N
XLogP2.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 2910237) is 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is UMLQWBVJIJUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4/c1-11(23)15-16(13-3-2-12(19)10-14(13)20)22(18(25)17(15)24)5-4-21-6-8-26-9-7-21/h2-3,10,16,24H,4-9H2,1H3.
What are the key properties of 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 399.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2,4-dichlorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2910237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).