3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

C16H10Cl4N2O2 — CID 43844937

IUPAC3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl4N2O2/c17-9-5-4-8(6-11(9)19)22-14(23)7-13(16(22)24)21-12-3-1-2-10(18)15(12)20/h1-6,13,21H,7H2
InChIKeyOWHHWLHAWPUUIE-UHFFFAOYSA-N
MW404.08 g/mol
LogP5.04
Rot. Bonds3

About 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione

3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 43844937) has the molecular formula C16H10Cl4N2O2 and a molecular weight of 404.08 g/mol. Its IUPAC name is 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID43844937
Molecular FormulaC16H10Cl4N2O2
Molecular Weight404.08 g/mol
Exact Mass401.95
IUPAC Name3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl4N2O2/c17-9-5-4-8(6-11(9)19)22-14(23)7-13(16(22)24)21-12-3-1-2-10(18)15(12)20/h1-6,13,21H,7H2
InChIKeyOWHHWLHAWPUUIE-UHFFFAOYSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.08
LogP ≤ 55.04
H-Bond Donors ≤ 51
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 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (CID 43844937) is 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is O=C1CC(Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is OWHHWLHAWPUUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl4N2O2/c17-9-5-4-8(6-11(9)19)22-14(23)7-13(16(22)24)21-12-3-1-2-10(18)15(12)20/h1-6,13,21H,7H2.
What are the key properties of 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 404.08 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloroanilino)-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).