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

C20H17ClFN3O2 — CID 1237916

IUPAC1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione
SMILESO=C1C=C(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFN3O2/c21-14-1-5-17(6-2-14)25-19(26)13-18(20(25)27)24-11-9-23(10-12-24)16-7-3-15(22)4-8-16/h1-8,13H,9-12H2
InChIKeyGALZIDIXZAFUFI-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.06
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione (PubChem CID 1237916) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione
PubChem CID1237916
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione
SMILESO=C1C=C(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFN3O2/c21-14-1-5-17(6-2-14)25-19(26)13-18(20(25)27)24-11-9-23(10-12-24)16-7-3-15(22)4-8-16/h1-8,13H,9-12H2
InChIKeyGALZIDIXZAFUFI-UHFFFAOYSA-N
XLogP3.06
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.06
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-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione (CID 1237916) is 1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione is O=C1C=C(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione?
The InChIKey is GALZIDIXZAFUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-14-1-5-17(6-2-14)25-19(26)13-18(20(25)27)24-11-9-23(10-12-24)16-7-3-15(22)4-8-16/h1-8,13H,9-12H2.
What are the key properties of 1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione?
1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione has a molecular weight of 385.83 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 1237916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).