3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione

C17H14ClNO2 — CID 2907911

IUPAC3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO2/c18-14-6-8-15(9-7-14)19-16(20)11-13(17(19)21)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyUHKWRMAQUQGVHY-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.46
Rot. Bonds3

About 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione

3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione (PubChem CID 2907911) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
PubChem CID2907911
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClNO2/c18-14-6-8-15(9-7-14)19-16(20)11-13(17(19)21)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyUHKWRMAQUQGVHY-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione (CID 2907911) is 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is UHKWRMAQUQGVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-14-6-8-15(9-7-14)19-16(20)11-13(17(19)21)10-12-4-2-1-3-5-12/h1-9,13H,10-11H2.
What are the key properties of 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione?
3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 299.76 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2907911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).