1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione

C24H20Cl2N3O3P — CID 134262838

About 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione

1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione (PubChem CID 134262838) has the molecular formula C24H20Cl2N3O3P and a molecular weight of 500.32 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
• PubChem CID: 134262838
• Molecular Formula: C24H20Cl2N3O3P
• Molecular Weight: 500.32 g/mol
• Exact Mass: 499.06
• IUPAC Name: 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione
• SMILES: O=C1CC(P2(=O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C24H20Cl2N3O3P/c25-17-13-18(26)15-21(14-17)29-23(30)16-22(24(29)31)33(32)27(19-7-3-1-4-8-19)11-12-28(33)20-9-5-2-6-10-20/h1-10,13-15,22H,11-12,16H2
• InChIKey: JCIVCNLJPPQWLH-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 60.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.32
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione?

The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione (CID 134262838) is 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione.

What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione?

The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione is O=C1CC(P2(=O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione?

The InChIKey is JCIVCNLJPPQWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N3O3P/c25-17-13-18(26)15-21(14-17)29-23(30)16-22(24(29)31)33(32)27(19-7-3-1-4-8-19)11-12-28(33)20-9-5-2-6-10-20/h1-10,13-15,22H,11-12,16H2.

What are the key properties of 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione?

1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 500.32 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-diphenyl-1,3,2λ5-diazaphospholidin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134262838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).