7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione

C20H14ClNO2 — CID 141194307

IUPAC7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione
SMILESO=C1C2C=CC=C(Cl)C2(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H14ClNO2/c21-17-13-7-12-16-18(23)22(15-10-5-2-6-11-15)19(24)20(16,17)14-8-3-1-4-9-14/h1-13,16H
InChIKeyICSVATOSZHMIDJ-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.81
Rot. Bonds2

About 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione

7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione (PubChem CID 141194307) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione.

Molecular Properties

Compound Name7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione
PubChem CID141194307
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione
SMILESO=C1C2C=CC=C(Cl)C2(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H14ClNO2/c21-17-13-7-12-16-18(23)22(15-10-5-2-6-11-15)19(24)20(16,17)14-8-3-1-4-9-14/h1-13,16H
InChIKeyICSVATOSZHMIDJ-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione?
The IUPAC name of 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione (CID 141194307) is 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione.
What is the SMILES notation for 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione?
The canonical SMILES for 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione is O=C1C2C=CC=C(Cl)C2(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione?
The InChIKey is ICSVATOSZHMIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2/c21-17-13-7-12-16-18(23)22(15-10-5-2-6-11-15)19(24)20(16,17)14-8-3-1-4-9-14/h1-13,16H.
What are the key properties of 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione?
7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione has a molecular weight of 335.79 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,7a-diphenyl-3aH-isoindole-1,3-dione is sourced from PubChem (CID 141194307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).