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

C15H15Cl2N3O2 — CID 720528

IUPAC3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
SMILESCN1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
InChIKeyUMJDJJMJMDGWRA-UHFFFAOYSA-N
MW340.21 g/mol
LogP1.91
Rot. Bonds2

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

3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione (PubChem CID 720528) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
PubChem CID720528
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
SMILESCN1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)CC1
InChIInChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
InChIKeyUMJDJJMJMDGWRA-UHFFFAOYSA-N
XLogP1.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione (CID 720528) is 3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione is CN1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)CC1.
What is the InChIKey of 3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The InChIKey is UMJDJJMJMDGWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3.
What are the key properties of 3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione has a molecular weight of 340.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 720528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).