3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione

C16H12Cl2N2O2 — CID 3822725

IUPAC3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1cc(Cl)ccn1
InChIInChI=1S/C16H12Cl2N2O2/c17-12-3-1-10(2-4-12)7-11-8-15(21)20(16(11)22)14-9-13(18)5-6-19-14/h1-6,9,11H,7-8H2
InChIKeyNHSPIQCWQYYGII-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.51
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione

3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 3822725) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID3822725
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1cc(Cl)ccn1
InChIInChI=1S/C16H12Cl2N2O2/c17-12-3-1-10(2-4-12)7-11-8-15(21)20(16(11)22)14-9-13(18)5-6-19-14/h1-6,9,11H,7-8H2
InChIKeyNHSPIQCWQYYGII-UHFFFAOYSA-N
XLogP3.51
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.51
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
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
1-(4-Chloropyridin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 3545931
1-(4-Chloropyridin-2-yl)-3-methyl-4-(4-methylbenzyl)pyrrolidine-2,5-dione
CID 3594322
1-(4-Chloro-2-pyridinyl)-3-(1-phenylethyl)-2,5-pyrrolidinedione
CID 3753925

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione (CID 3822725) is 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione is O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1cc(Cl)ccn1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is NHSPIQCWQYYGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-12-3-1-10(2-4-12)7-11-8-15(21)20(16(11)22)14-9-13(18)5-6-19-14/h1-6,9,11H,7-8H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione?
3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 335.19 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-1-(4-chloro-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3822725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).