2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione

C24H16Cl2N2O3 — CID 23761774

IUPAC2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)C2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H16Cl2N2O3/c1-13-6-9-15(10-7-13)27-20(18-11-8-14(25)12-19(18)26)21(24(27)31)28-22(29)16-4-2-3-5-17(16)23(28)30/h2-12,20-21H,1H3
InChIKeyWSFILPMSNBXADL-UHFFFAOYSA-N
MW451.31 g/mol
LogP5.05
Rot. Bonds3

About 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione

2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione (PubChem CID 23761774) has the molecular formula C24H16Cl2N2O3 and a molecular weight of 451.31 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
PubChem CID23761774
Molecular FormulaC24H16Cl2N2O3
Molecular Weight451.31 g/mol
Exact Mass450.05
IUPAC Name2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)C2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H16Cl2N2O3/c1-13-6-9-15(10-7-13)27-20(18-11-8-14(25)12-19(18)26)21(24(27)31)28-22(29)16-4-2-3-5-17(16)23(28)30/h2-12,20-21H,1H3
InChIKeyWSFILPMSNBXADL-UHFFFAOYSA-N
XLogP5.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.31
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione (CID 23761774) is 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione is Cc1ccc(N2C(=O)C(N3C(=O)c4ccccc4C3=O)C2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione?
The InChIKey is WSFILPMSNBXADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O3/c1-13-6-9-15(10-7-13)27-20(18-11-8-14(25)12-19(18)26)21(24(27)31)28-22(29)16-4-2-3-5-17(16)23(28)30/h2-12,20-21H,1H3.
What are the key properties of 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione?
2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione has a molecular weight of 451.31 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 23761774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).