1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione

C22H23Cl2N3O2 — CID 3833083

IUPAC1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1Cl
InChIInChI=1S/C22H23Cl2N3O2/c1-15-2-7-18(12-19(15)24)27-21(28)13-20(22(27)29)26-10-8-25(9-11-26)14-16-3-5-17(23)6-4-16/h2-7,12,20H,8-11,13-14H2,1H3
InChIKeyXUSFXPXSULHEJY-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.75
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 3833083) has the molecular formula C22H23Cl2N3O2 and a molecular weight of 432.35 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID3833083
Molecular FormulaC22H23Cl2N3O2
Molecular Weight432.35 g/mol
Exact Mass431.12
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1Cl
InChIInChI=1S/C22H23Cl2N3O2/c1-15-2-7-18(12-19(15)24)27-21(28)13-20(22(27)29)26-10-8-25(9-11-26)14-16-3-5-17(23)6-4-16/h2-7,12,20H,8-11,13-14H2,1H3
InChIKeyXUSFXPXSULHEJY-UHFFFAOYSA-N
XLogP3.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.75
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 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 3833083) is 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(N3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is XUSFXPXSULHEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O2/c1-15-2-7-18(12-19(15)24)27-21(28)13-20(22(27)29)26-10-8-25(9-11-26)14-16-3-5-17(23)6-4-16/h2-7,12,20H,8-11,13-14H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 432.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3833083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).