1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one

C22H22ClNO3 — CID 4547589

IUPAC1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccccc1Cl
InChIInChI=1S/C22H22ClNO3/c1-22(2,3)20(26)17-18(15-11-7-8-12-16(15)23)24(21(27)19(17)25)13-14-9-5-4-6-10-14/h4-12,18,25H,13H2,1-3H3
InChIKeyVIGRZAHXRXWPDG-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.85
Rot. Bonds4

About 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one

1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 4547589) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID4547589
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccccc1Cl
InChIInChI=1S/C22H22ClNO3/c1-22(2,3)20(26)17-18(15-11-7-8-12-16(15)23)24(21(27)19(17)25)13-14-9-5-4-6-10-14/h4-12,18,25H,13H2,1-3H3
InChIKeyVIGRZAHXRXWPDG-UHFFFAOYSA-N
XLogP4.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one (CID 4547589) is 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one is CC(C)(C)C(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccccc1Cl.
What is the InChIKey of 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is VIGRZAHXRXWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-22(2,3)20(26)17-18(15-11-7-8-12-16(15)23)24(21(27)19(17)25)13-14-9-5-4-6-10-14/h4-12,18,25H,13H2,1-3H3.
What are the key properties of 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one?
1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 383.88 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 4547589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).