4-(dibenzylamino)isoindole-1,3-dione

C22H18N2O2 — CID 150385559

IUPAC4-(dibenzylamino)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21-18-12-7-13-19(20(18)22(26)23-21)24(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,25,26)
InChIKeyHAPXCTKYPDRDCY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.78
Rot. Bonds5

About 4-(dibenzylamino)isoindole-1,3-dione

4-(dibenzylamino)isoindole-1,3-dione (PubChem CID 150385559) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(dibenzylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(dibenzylamino)isoindole-1,3-dione
PubChem CID150385559
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-(dibenzylamino)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21-18-12-7-13-19(20(18)22(26)23-21)24(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,25,26)
InChIKeyHAPXCTKYPDRDCY-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
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 4-(dibenzylamino)isoindole-1,3-dione?
The IUPAC name of 4-(dibenzylamino)isoindole-1,3-dione (CID 150385559) is 4-(dibenzylamino)isoindole-1,3-dione.
What is the SMILES notation for 4-(dibenzylamino)isoindole-1,3-dione?
The canonical SMILES for 4-(dibenzylamino)isoindole-1,3-dione is O=C1NC(=O)c2c1cccc2N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-(dibenzylamino)isoindole-1,3-dione?
The InChIKey is HAPXCTKYPDRDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21-18-12-7-13-19(20(18)22(26)23-21)24(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,25,26).
What are the key properties of 4-(dibenzylamino)isoindole-1,3-dione?
4-(dibenzylamino)isoindole-1,3-dione has a molecular weight of 342.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)isoindole-1,3-dione is sourced from PubChem (CID 150385559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).