3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione

C23H23Cl2N3O2 — CID 110568222

IUPAC3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
SMILESCc1cccc(N2CCN(C3=C(c4ccc(Cl)cc4Cl)C(=O)N(C)C3=O)CC2)c1C
InChIInChI=1S/C23H23Cl2N3O2/c1-14-5-4-6-19(15(14)2)27-9-11-28(12-10-27)21-20(22(29)26(3)23(21)30)17-8-7-16(24)13-18(17)25/h4-8,13H,9-12H2,1-3H3
InChIKeyVNGNLVRFEAQZBB-UHFFFAOYSA-N
MW444.36 g/mol
LogP4.14
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione

3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione (PubChem CID 110568222) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
PubChem CID110568222
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
SMILESCc1cccc(N2CCN(C3=C(c4ccc(Cl)cc4Cl)C(=O)N(C)C3=O)CC2)c1C
InChIInChI=1S/C23H23Cl2N3O2/c1-14-5-4-6-19(15(14)2)27-9-11-28(12-10-27)21-20(22(29)26(3)23(21)30)17-8-7-16(24)13-18(17)25/h4-8,13H,9-12H2,1-3H3
InChIKeyVNGNLVRFEAQZBB-UHFFFAOYSA-N
XLogP4.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 54.14
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

3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110568221
3-(2,4-dichlorophenyl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568220
3-(2,4-dichlorophenyl)-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568224
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione
CID 110568211
3-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568862
3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568882
3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110568680
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568143
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-phenylpyrrole-2,5-dione
CID 110568790
3-(2,4-dichlorophenyl)-1-methyl-4-phenylsulfanylpyrrole-2,5-dione
CID 110568240
1-benzyl-3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568058

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione (CID 110568222) is 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione is Cc1cccc(N2CCN(C3=C(c4ccc(Cl)cc4Cl)C(=O)N(C)C3=O)CC2)c1C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione?
The InChIKey is VNGNLVRFEAQZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c1-14-5-4-6-19(15(14)2)27-9-11-28(12-10-27)21-20(22(29)26(3)23(21)30)17-8-7-16(24)13-18(17)25/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione has a molecular weight of 444.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 110568222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).