2-(2,5-dichlorophenyl)isoindole-1,3-dione

C14H7Cl2NO2 — CID 824114

IUPAC2-(2,5-dichlorophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H7Cl2NO2/c15-8-5-6-11(16)12(7-8)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H
InChIKeyQGEUIYWGMPIINR-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.79
Rot. Bonds1

About 2-(2,5-dichlorophenyl)isoindole-1,3-dione

2-(2,5-dichlorophenyl)isoindole-1,3-dione (PubChem CID 824114) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)isoindole-1,3-dione
PubChem CID824114
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name2-(2,5-dichlorophenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H7Cl2NO2/c15-8-5-6-11(16)12(7-8)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H
InChIKeyQGEUIYWGMPIINR-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.79
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 2-(2,5-dichlorophenyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,5-dichlorophenyl)isoindole-1,3-dione (CID 824114) is 2-(2,5-dichlorophenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,5-dichlorophenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,5-dichlorophenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)isoindole-1,3-dione?
The InChIKey is QGEUIYWGMPIINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-8-5-6-11(16)12(7-8)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H.
What are the key properties of 2-(2,5-dichlorophenyl)isoindole-1,3-dione?
2-(2,5-dichlorophenyl)isoindole-1,3-dione has a molecular weight of 292.12 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)isoindole-1,3-dione is sourced from PubChem (CID 824114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).