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

C16H9Cl2IN2O2 — CID 1187268

IUPAC3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H9Cl2IN2O2/c17-11-3-1-2-4-12(11)21-15(22)13(18)14(16(21)23)20-10-7-5-9(19)6-8-10/h1-8,20H
InChIKeyHPFMOEFPIPUIFS-UHFFFAOYSA-N
MW459.07 g/mol
LogP4.38
Rot. Bonds3

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

3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione (PubChem CID 1187268) has the molecular formula C16H9Cl2IN2O2 and a molecular weight of 459.07 g/mol. Its IUPAC name is 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione
PubChem CID1187268
Molecular FormulaC16H9Cl2IN2O2
Molecular Weight459.07 g/mol
Exact Mass457.91
IUPAC Name3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H9Cl2IN2O2/c17-11-3-1-2-4-12(11)21-15(22)13(18)14(16(21)23)20-10-7-5-9(19)6-8-10/h1-8,20H
InChIKeyHPFMOEFPIPUIFS-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.07
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione (CID 1187268) is 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione is O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione?
The InChIKey is HPFMOEFPIPUIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2IN2O2/c17-11-3-1-2-4-12(11)21-15(22)13(18)14(16(21)23)20-10-7-5-9(19)6-8-10/h1-8,20H.
What are the key properties of 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione?
3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione has a molecular weight of 459.07 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-chlorophenyl)-4-(4-iodoanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1187268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).