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

C17H15ClN2O2 — CID 3545931

IUPAC1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(c3cc(Cl)ccn3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-2-4-12(5-3-11)8-13-9-16(21)20(17(13)22)15-10-14(18)6-7-19-15/h2-7,10,13H,8-9H2,1H3
InChIKeyCVZWNNVBAWFGGL-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

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

1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 3545931) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID3545931
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(c3cc(Cl)ccn3)C2=O)cc1
InChIInChI=1S/C17H15ClN2O2/c1-11-2-4-12(5-3-11)8-13-9-16(21)20(17(13)22)15-10-14(18)6-7-19-15/h2-7,10,13H,8-9H2,1H3
InChIKeyCVZWNNVBAWFGGL-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
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 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione (CID 3545931) is 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is Cc1ccc(CC2CC(=O)N(c3cc(Cl)ccn3)C2=O)cc1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is CVZWNNVBAWFGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-2-4-12(5-3-11)8-13-9-16(21)20(17(13)22)15-10-14(18)6-7-19-15/h2-7,10,13H,8-9H2,1H3.
What are the key properties of 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione?
1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 314.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3545931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).