1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

C26H21F2N3O2 — CID 110544646

IUPAC1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)=C(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H21F2N3O2/c27-19-8-6-18(7-9-19)23-24(26(33)31(25(23)32)22-12-10-20(28)11-13-22)30-16-14-29(15-17-30)21-4-2-1-3-5-21/h1-13H,14-17H2
InChIKeyJXJFIBIQRHVCFH-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.07
Rot. Bonds4

About 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione

1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione (PubChem CID 110544646) has the molecular formula C26H21F2N3O2 and a molecular weight of 445.47 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
PubChem CID110544646
Molecular FormulaC26H21F2N3O2
Molecular Weight445.47 g/mol
Exact Mass445.16
IUPAC Name1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)=C(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C26H21F2N3O2/c27-19-8-6-18(7-9-19)23-24(26(33)31(25(23)32)22-12-10-20(28)11-13-22)30-16-14-29(15-17-30)21-4-2-1-3-5-21/h1-13H,14-17H2
InChIKeyJXJFIBIQRHVCFH-UHFFFAOYSA-N
XLogP4.07
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.07
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

1-(4-fluorophenyl)-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110560474
1,3-bis(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544647
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545764
3-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110543075
1-(4-tert-butylphenyl)-3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110545285
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
1-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110543119
1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545705
1-(4-fluorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]-4-phenylpyrrole-2,5-dione
CID 110560496
1-(3-fluorophenyl)-3-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544563
3-(4-ethylpiperazin-1-yl)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110558664
1-[4-(dimethylamino)phenyl]-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110543115

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione (CID 110544646) is 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione is O=C1C(c2ccc(F)cc2)=C(N2CCN(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione?
The InChIKey is JXJFIBIQRHVCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O2/c27-19-8-6-18(7-9-19)23-24(26(33)31(25(23)32)22-12-10-20(28)11-13-22)30-16-14-29(15-17-30)21-4-2-1-3-5-21/h1-13H,14-17H2.
What are the key properties of 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione?
1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione has a molecular weight of 445.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110544646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).