4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione

C20H14N2O3 — CID 139789593

IUPAC4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione
SMILESO=C1c2cccc(O)c2C(=O)N1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14N2O3/c23-17-13-7-12-16-18(17)20(25)22(19(16)24)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,23H
InChIKeyMOJPCXSSKXUXJK-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.74
Rot. Bonds3

About 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione

4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione (PubChem CID 139789593) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione.

Molecular Properties

Compound Name4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione
PubChem CID139789593
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione
SMILESO=C1c2cccc(O)c2C(=O)N1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14N2O3/c23-17-13-7-12-16-18(17)20(25)22(19(16)24)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,23H
InChIKeyMOJPCXSSKXUXJK-UHFFFAOYSA-N
XLogP3.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
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 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione?
The IUPAC name of 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione (CID 139789593) is 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione.
What is the SMILES notation for 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione?
The canonical SMILES for 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione is O=C1c2cccc(O)c2C(=O)N1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione?
The InChIKey is MOJPCXSSKXUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-17-13-7-12-16-18(17)20(25)22(19(16)24)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,23H.
What are the key properties of 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione?
4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione has a molecular weight of 330.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(N-phenylanilino)isoindole-1,3-dione is sourced from PubChem (CID 139789593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).