1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione

C17H16ClN3O2 — CID 3413615

IUPAC1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccccn2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-12-4-6-14(7-5-12)21-16(22)11-15(17(21)23)20-10-8-13-3-1-2-9-19-13/h1-7,9,15,20H,8,10-11H2
InChIKeyYQRBVEOZZOEFME-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione

1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione (PubChem CID 3413615) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
PubChem CID3413615
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccccn2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c18-12-4-6-14(7-5-12)21-16(22)11-15(17(21)23)20-10-8-13-3-1-2-9-19-13/h1-7,9,15,20H,8,10-11H2
InChIKeyYQRBVEOZZOEFME-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.20
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 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione (CID 3413615) is 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione is O=C1CC(NCCc2ccccn2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione?
The InChIKey is YQRBVEOZZOEFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-12-4-6-14(7-5-12)21-16(22)11-15(17(21)23)20-10-8-13-3-1-2-9-19-13/h1-7,9,15,20H,8,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione has a molecular weight of 329.79 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 3413615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).