1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione

C17H15ClN2O2 — CID 4917515

IUPAC1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)cn2)C1=O
InChIInChI=1S/C17H15ClN2O2/c1-11(12-5-3-2-4-6-12)14-9-16(21)20(17(14)22)15-8-7-13(18)10-19-15/h2-8,10-11,14H,9H2,1H3
InChIKeyZSLFTWJRUNIOKC-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.42
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione

1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 4917515) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID4917515
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)cn2)C1=O
InChIInChI=1S/C17H15ClN2O2/c1-11(12-5-3-2-4-6-12)14-9-16(21)20(17(14)22)15-8-7-13(18)10-19-15/h2-8,10-11,14H,9H2,1H3
InChIKeyZSLFTWJRUNIOKC-UHFFFAOYSA-N
XLogP3.42
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-2-phthalimidopyridine
CID 10999049
2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
3-acetyl-2-(4-chlorophenyl)-4-hydroxy-1-pyridin-2-yl-2H-pyrrol-5-one
CID 2868141
2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
2,2-dichloro-N-(5-chloro-2-pyridinyl)-3-phenylcyclopropanecarboxamide
CID 3120148
N-(5-chloropyridin-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 669851
N-(5-chloropyridin-2-yl)-2-(4-methylphenyl)acetamide
CID 891155
2-(4-chlorophenyl)-N-(4-chloropyridin-2-yl)acetamide
CID 898875
2-(4-chlorophenyl)-N-(5-methylpyridin-2-yl)acetamide
CID 903280
N-benzyl-2-(2-chloro-6-fluorophenyl)-N-2-pyridinylacetamide
CID 1241672
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione (CID 4917515) is 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione is CC(c1ccccc1)C1CC(=O)N(c2ccc(Cl)cn2)C1=O.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is ZSLFTWJRUNIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11(12-5-3-2-4-6-12)14-9-16(21)20(17(14)22)15-8-7-13(18)10-19-15/h2-8,10-11,14H,9H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione?
1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 314.77 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 4917515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).