3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione

C16H9Cl3N2O2 — CID 1484337

IUPAC3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)12-8-15(22)21(16(12)23)20-14-6-5-11(18)7-13(14)19/h1-8,20H
InChIKeyHHXYXNPQQBOYSH-UHFFFAOYSA-N
MW367.62 g/mol
LogP4.43
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione

3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione (PubChem CID 1484337) has the molecular formula C16H9Cl3N2O2 and a molecular weight of 367.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione
PubChem CID1484337
Molecular FormulaC16H9Cl3N2O2
Molecular Weight367.62 g/mol
Exact Mass365.97
IUPAC Name3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)12-8-15(22)21(16(12)23)20-14-6-5-11(18)7-13(14)19/h1-8,20H
InChIKeyHHXYXNPQQBOYSH-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 54.43
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-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione (CID 1484337) is 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione is O=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione?
The InChIKey is HHXYXNPQQBOYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)12-8-15(22)21(16(12)23)20-14-6-5-11(18)7-13(14)19/h1-8,20H.
What are the key properties of 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione?
3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione has a molecular weight of 367.62 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1484337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).