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

C22H12N2O4 — CID 632686

IUPAC2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H12N2O4/c25-19-15-5-1-2-6-16(15)20(26)23(19)13-9-11-14(12-10-13)24-21(27)17-7-3-4-8-18(17)22(24)28/h1-12H
InChIKeyVIBWYHAUPHKRIN-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.29
Rot. Bonds2

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

2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione (PubChem CID 632686) has the molecular formula C22H12N2O4 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
PubChem CID632686
Molecular FormulaC22H12N2O4
Molecular Weight368.35 g/mol
Exact Mass368.08
IUPAC Name2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H12N2O4/c25-19-15-5-1-2-6-16(15)20(26)23(19)13-9-11-14(12-10-13)24-21(27)17-7-3-4-8-18(17)22(24)28/h1-12H
InChIKeyVIBWYHAUPHKRIN-UHFFFAOYSA-N
XLogP3.29
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione (CID 632686) is 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione?
The InChIKey is VIBWYHAUPHKRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2O4/c25-19-15-5-1-2-6-16(15)20(26)23(19)13-9-11-14(12-10-13)24-21(27)17-7-3-4-8-18(17)22(24)28/h1-12H.
What are the key properties of 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione?
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione has a molecular weight of 368.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 632686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).