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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Related Compounds

2,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 2070994
2-[4-[4-(3-Chlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 16085364
O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(2,4-dichlorobenzoyl)-N-(p-tolyl)carbamothioate
CID 42631722
2-[[4-[2-[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]ethyl]phenyl]methyl]isoindole-1,3-dione
CID 85469930
N-[2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]acetamide;hydrochloride
CID 156011195
N-[2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]-3-phenylpropanamide;hydrochloride
CID 156015119
N-[2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propanoyl]-1,3-dihydroisoindol-5-yl]-2-phenylacetamide;hydrochloride
CID 156016107
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 2541434
Phthalimide, N-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-
CID 610769
N-(3-Chloro-4-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-2-phenylacetamide
CID 16020712
N-(3-Chloro-4-methylphenyl)-2-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-phenylpropanamide
CID 16020775
2-{2-[4-(Dimethylamino)phenyl]-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-YL}-2,3-dihydro-1H-isoindole-1,3-dione
CID 6617973

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).