1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione

C13H15ClN2O4 — CID 603683

IUPAC1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione
SMILESCOc1cc(OC)c(NCN2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-19-10-6-11(20-2)9(5-8(10)14)15-7-16-12(17)3-4-13(16)18/h5-6,15H,3-4,7H2,1-2H3
InChIKeyOMEOGUVONOYTMW-UHFFFAOYSA-N
MW298.73 g/mol
LogP1.88
Rot. Bonds5

About 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione

1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione (PubChem CID 603683) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione
PubChem CID603683
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione
SMILESCOc1cc(OC)c(NCN2C(=O)CCC2=O)cc1Cl
InChIInChI=1S/C13H15ClN2O4/c1-19-10-6-11(20-2)9(5-8(10)14)15-7-16-12(17)3-4-13(16)18/h5-6,15H,3-4,7H2,1-2H3
InChIKeyOMEOGUVONOYTMW-UHFFFAOYSA-N
XLogP1.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione (CID 603683) is 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione is COc1cc(OC)c(NCN2C(=O)CCC2=O)cc1Cl.
What is the InChIKey of 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione?
The InChIKey is OMEOGUVONOYTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c1-19-10-6-11(20-2)9(5-8(10)14)15-7-16-12(17)3-4-13(16)18/h5-6,15H,3-4,7H2,1-2H3.
What are the key properties of 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione?
1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione has a molecular weight of 298.73 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,4-dimethoxyanilino)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 603683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).