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

C20H19ClFN3O2 — CID 3109123

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H19ClFN3O2/c21-16-3-1-2-4-17(16)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)15-7-5-14(22)6-8-15/h1-8,18H,9-13H2
InChIKeyQSZNTMGNNWXSBG-UHFFFAOYSA-N
MW387.84 g/mol
LogP2.93
Rot. Bonds3

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

3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 3109123) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID3109123
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H19ClFN3O2/c21-16-3-1-2-4-17(16)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)15-7-5-14(22)6-8-15/h1-8,18H,9-13H2
InChIKeyQSZNTMGNNWXSBG-UHFFFAOYSA-N
XLogP2.93
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 52.93
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 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 3109123) is 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is O=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is QSZNTMGNNWXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c21-16-3-1-2-4-17(16)23-9-11-24(12-10-23)18-13-19(26)25(20(18)27)15-7-5-14(22)6-8-15/h1-8,18H,9-13H2.
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 387.84 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3109123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).