4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one

C20H18ClNO3 — CID 23342868

IUPAC4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one
SMILESO=C1OCCC1N1CC(c2ccc(Cl)cc2)C(c2ccccc2)C1=O
InChIInChI=1S/C20H18ClNO3/c21-15-8-6-13(7-9-15)16-12-22(17-10-11-25-20(17)24)19(23)18(16)14-4-2-1-3-5-14/h1-9,16-18H,10-12H2
InChIKeyBNYSLJONCMUYLX-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.37
Rot. Bonds3

About 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one

4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one (PubChem CID 23342868) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one
PubChem CID23342868
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one
SMILESO=C1OCCC1N1CC(c2ccc(Cl)cc2)C(c2ccccc2)C1=O
InChIInChI=1S/C20H18ClNO3/c21-15-8-6-13(7-9-15)16-12-22(17-10-11-25-20(17)24)19(23)18(16)14-4-2-1-3-5-14/h1-9,16-18H,10-12H2
InChIKeyBNYSLJONCMUYLX-UHFFFAOYSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one (CID 23342868) is 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one is O=C1OCCC1N1CC(c2ccc(Cl)cc2)C(c2ccccc2)C1=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one?
The InChIKey is BNYSLJONCMUYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c21-15-8-6-13(7-9-15)16-12-22(17-10-11-25-20(17)24)19(23)18(16)14-4-2-1-3-5-14/h1-9,16-18H,10-12H2.
What are the key properties of 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one?
4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one has a molecular weight of 355.82 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(2-oxooxolan-3-yl)-3-phenylpyrrolidin-2-one is sourced from PubChem (CID 23342868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).