3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione

C22H21Cl2N3O2 — CID 110568221

IUPAC3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
SMILESCc1cccc(N2CCN(C3=C(c4ccc(Cl)cc4Cl)C(=O)N(C)C3=O)CC2)c1
InChIInChI=1S/C22H21Cl2N3O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)20-19(21(28)25(2)22(20)29)17-7-6-15(23)13-18(17)24/h3-7,12-13H,8-11H2,1-2H3
InChIKeyQDIKLZZZADXHHJ-UHFFFAOYSA-N
MW430.34 g/mol
LogP3.83
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione

3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione (PubChem CID 110568221) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
PubChem CID110568221
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC Name3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
SMILESCc1cccc(N2CCN(C3=C(c4ccc(Cl)cc4Cl)C(=O)N(C)C3=O)CC2)c1
InChIInChI=1S/C22H21Cl2N3O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)20-19(21(28)25(2)22(20)29)17-7-6-15(23)13-18(17)24/h3-7,12-13H,8-11H2,1-2H3
InChIKeyQDIKLZZZADXHHJ-UHFFFAOYSA-N
XLogP3.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 53.83
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-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568220
3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
CID 110568222
3-(2,4-dichlorophenyl)-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568224
3-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568862
1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552998
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione
CID 110568211
3-(4-chlorophenyl)-1-(3-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110570917
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-phenylpyrrole-2,5-dione
CID 110568790
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
2,4-dichloro-6-[4-(3-methylphenyl)piperazin-1-yl]sulfonylphenol
CID 3598660
3-(2,4-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110568143
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110570915

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione (CID 110568221) is 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione is Cc1cccc(N2CCN(C3=C(c4ccc(Cl)cc4Cl)C(=O)N(C)C3=O)CC2)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione?
The InChIKey is QDIKLZZZADXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c1-14-4-3-5-16(12-14)26-8-10-27(11-9-26)20-19(21(28)25(2)22(20)29)17-7-6-15(23)13-18(17)24/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione has a molecular weight of 430.34 g/mol, XLogP of 3.83, 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)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 110568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).