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

C15H15Cl2N3O2 — CID 16654640

IUPAC3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
SMILESCN1CCN(C2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)CC1
InChIInChI=1S/C15H15Cl2N3O2/c1-18-6-8-19(9-7-18)13-12(17)14(21)20(15(13)22)11-5-3-2-4-10(11)16/h2-5H,6-9H2,1H3
InChIKeyIELBMUKKAXCMGF-UHFFFAOYSA-N
MW340.21 g/mol
LogP1.91
Rot. Bonds2

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

3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione (PubChem CID 16654640) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
PubChem CID16654640
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
SMILESCN1CCN(C2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)CC1
InChIInChI=1S/C15H15Cl2N3O2/c1-18-6-8-19(9-7-18)13-12(17)14(21)20(15(13)22)11-5-3-2-4-10(11)16/h2-5H,6-9H2,1H3
InChIKeyIELBMUKKAXCMGF-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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Related Compounds

1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
3-Chloro-1-(3,4-dichlorophenyl)-4-(dimethylamino)pyrrole-2,5-dione
CID 779754
3-Chloro-1-(3,4-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 1180676
Clodacaine
CID 58616
3-(Azepan-1-yl)-4-chloro-1-(2-chlorophenyl)pyrrole-2,5-dione
CID 720510
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2115027
3-Chloro-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dione
CID 720237
3-Chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 720528
3-chloro-1-phenyl-4-(1-piperidinyl)-1H-pyrrole-2,5-dione
CID 779239
3-Chloro-1-(2-chlorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dione
CID 796318
3-chloro-1-(3,4-dichlorophenyl)-4-(4-morpholinyl)-1H-pyrrole-2,5-dione
CID 1074953

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione (CID 16654640) is 3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione is CN1CCN(C2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)CC1.
What is the InChIKey of 3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
The InChIKey is IELBMUKKAXCMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-18-6-8-19(9-7-18)13-12(17)14(21)20(15(13)22)11-5-3-2-4-10(11)16/h2-5H,6-9H2,1H3.
What are the key properties of 3-chloro-1-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione?
3-chloro-1-(2-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-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 16654640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).