2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione

C25H20N2O3 — CID 2927234

IUPAC2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
SMILESO=C(C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCc2ccccc21
InChIInChI=1S/C25H20N2O3/c28-23-19-11-5-6-12-20(19)24(29)27(23)22(16-17-8-2-1-3-9-17)25(30)26-15-14-18-10-4-7-13-21(18)26/h1-13,22H,14-16H2
InChIKeyMVNXSCYTPLFIMJ-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.48
Rot. Bonds4

About 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione

2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione (PubChem CID 2927234) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
PubChem CID2927234
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
SMILESO=C(C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCc2ccccc21
InChIInChI=1S/C25H20N2O3/c28-23-19-11-5-6-12-20(19)24(29)27(23)22(16-17-8-2-1-3-9-17)25(30)26-15-14-18-10-4-7-13-21(18)26/h1-13,22H,14-16H2
InChIKeyMVNXSCYTPLFIMJ-UHFFFAOYSA-N
XLogP3.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
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 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione (CID 2927234) is 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione is O=C(C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCc2ccccc21.
What is the InChIKey of 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione?
The InChIKey is MVNXSCYTPLFIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c28-23-19-11-5-6-12-20(19)24(29)27(23)22(16-17-8-2-1-3-9-17)25(30)26-15-14-18-10-4-7-13-21(18)26/h1-13,22H,14-16H2.
What are the key properties of 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione?
2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione has a molecular weight of 396.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydroindol-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 2927234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).