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

C16H13ClN2O2 — CID 654927

IUPAC3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-7-14(18-10-13)19-15(20)9-12(16(19)21)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2
InChIKeyRRYIZPGVIDFVRT-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.86
Rot. Bonds3

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

3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 654927) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID654927
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-7-14(18-10-13)19-15(20)9-12(16(19)21)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2
InChIKeyRRYIZPGVIDFVRT-UHFFFAOYSA-N
XLogP2.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
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 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione (CID 654927) is 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cn1.
What is the InChIKey of 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is RRYIZPGVIDFVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-6-7-14(18-10-13)19-15(20)9-12(16(19)21)8-11-4-2-1-3-5-11/h1-7,10,12H,8-9H2.
What are the key properties of 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 300.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(5-chloro-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 654927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).