2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione

C20H11Cl2NO2 — CID 168517614

IUPAC2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H11Cl2NO2/c21-17-9-8-13(11-18(17)22)12-4-3-5-14(10-12)23-19(24)15-6-1-2-7-16(15)20(23)25/h1-11H
InChIKeyXADAPDGCYNOKLC-UHFFFAOYSA-N
MW368.22 g/mol
LogP5.46
Rot. Bonds2

About 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione

2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione (PubChem CID 168517614) has the molecular formula C20H11Cl2NO2 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
PubChem CID168517614
Molecular FormulaC20H11Cl2NO2
Molecular Weight368.22 g/mol
Exact Mass367.02
IUPAC Name2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C20H11Cl2NO2/c21-17-9-8-13(11-18(17)22)12-4-3-5-14(10-12)23-19(24)15-6-1-2-7-16(15)20(23)25/h1-11H
InChIKeyXADAPDGCYNOKLC-UHFFFAOYSA-N
XLogP5.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.22
LogP ≤ 55.46
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 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione (CID 168517614) is 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione?
The InChIKey is XADAPDGCYNOKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2NO2/c21-17-9-8-13(11-18(17)22)12-4-3-5-14(10-12)23-19(24)15-6-1-2-7-16(15)20(23)25/h1-11H.
What are the key properties of 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione?
2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione has a molecular weight of 368.22 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168517614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).