3-anilino-1-benzylpyrrolidine-2,5-dione

C17H16N2O2 — CID 2866502

IUPAC3-anilino-1-benzylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16-11-15(18-14-9-5-2-6-10-14)17(21)19(16)12-13-7-3-1-4-8-13/h1-10,15,18H,11-12H2
InChIKeyQEDXKLRXKMRXLQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.43
Rot. Bonds4

About 3-anilino-1-benzylpyrrolidine-2,5-dione

3-anilino-1-benzylpyrrolidine-2,5-dione (PubChem CID 2866502) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-anilino-1-benzylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-anilino-1-benzylpyrrolidine-2,5-dione
PubChem CID2866502
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-anilino-1-benzylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-16-11-15(18-14-9-5-2-6-10-14)17(21)19(16)12-13-7-3-1-4-8-13/h1-10,15,18H,11-12H2
InChIKeyQEDXKLRXKMRXLQ-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.43
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 3-anilino-1-benzylpyrrolidine-2,5-dione?
The IUPAC name of 3-anilino-1-benzylpyrrolidine-2,5-dione (CID 2866502) is 3-anilino-1-benzylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-anilino-1-benzylpyrrolidine-2,5-dione?
The canonical SMILES for 3-anilino-1-benzylpyrrolidine-2,5-dione is O=C1CC(Nc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-anilino-1-benzylpyrrolidine-2,5-dione?
The InChIKey is QEDXKLRXKMRXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-11-15(18-14-9-5-2-6-10-14)17(21)19(16)12-13-7-3-1-4-8-13/h1-10,15,18H,11-12H2.
What are the key properties of 3-anilino-1-benzylpyrrolidine-2,5-dione?
3-anilino-1-benzylpyrrolidine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-benzylpyrrolidine-2,5-dione is sourced from PubChem (CID 2866502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).