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

C21H21Cl2N3O2 — CID 46854841

IUPAC3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc(Cl)c2)C(=O)N1CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H21Cl2N3O2/c22-16-5-3-4-15(12-16)17-13-20(27)26(21(17)28)14-24-8-10-25(11-9-24)19-7-2-1-6-18(19)23/h1-7,12,17H,8-11,13-14H2
InChIKeyGEUAVPONECHPTR-UHFFFAOYSA-N
MW418.32 g/mol
LogP3.62
Rot. Bonds4

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

3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 46854841) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
PubChem CID46854841
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc(Cl)c2)C(=O)N1CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H21Cl2N3O2/c22-16-5-3-4-15(12-16)17-13-20(27)26(21(17)28)14-24-8-10-25(11-9-24)19-7-2-1-6-18(19)23/h1-7,12,17H,8-11,13-14H2
InChIKeyGEUAVPONECHPTR-UHFFFAOYSA-N
XLogP3.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.62
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

(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42631096
(3S)-3-phenyl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
CID 9232425
(3S)-1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98170662
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione
CID 46196479
4-(3-chlorophenyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 141006073
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42631196
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26937799
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
(3S)-3-(3-chlorophenyl)-1-cyclohexylpyrrolidine-2,5-dione
CID 101349866
1-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 7029235
(3R)-3-phenyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrrolidine-2,5-dione
CID 9236237

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione (CID 46854841) is 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione is O=C1CC(c2cccc(Cl)c2)C(=O)N1CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is GEUAVPONECHPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c22-16-5-3-4-15(12-16)17-13-20(27)26(21(17)28)14-24-8-10-25(11-9-24)19-7-2-1-6-18(19)23/h1-7,12,17H,8-11,13-14H2.
What are the key properties of 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione?
3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 418.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 46854841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).