1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione

C24H22FN3O3P+ — CID 134262767

IUPAC1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3P/c25-18-11-13-21(14-12-18)28-23(29)17-22(24(28)30)32(31)26(19-7-3-1-4-8-19)15-16-27(32)20-9-5-2-6-10-20/h1-14,22,31H,15-17H2/q+1
InChIKeyADSVGRAWHPVXIY-UHFFFAOYSA-N
MW450.43 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione (PubChem CID 134262767) has the molecular formula C24H22FN3O3P+ and a molecular weight of 450.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione
PubChem CID134262767
Molecular FormulaC24H22FN3O3P+
Molecular Weight450.43 g/mol
Exact Mass450.14
IUPAC Name1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione
SMILESO=C1CC([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3P/c25-18-11-13-21(14-12-18)28-23(29)17-22(24(28)30)32(31)26(19-7-3-1-4-8-19)15-16-27(32)20-9-5-2-6-10-20/h1-14,22,31H,15-17H2/q+1
InChIKeyADSVGRAWHPVXIY-UHFFFAOYSA-N
XLogP4.24
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-hydroxy-1,3-bis(4-methylphenyl)-1,3,2-diazaphospholidin-2-ium-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 134262848
3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)-1-pyridin-3-ylpyrrolidine-2,5-dione
CID 134262810
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 4753361
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602
(3S)-1-(4-fluorophenyl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 671190
(3S)-1-(4-fluorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 931022
(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282118
(3R)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282119
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(3S)-1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6960556
3-(2,4-dioxopentan-3-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 146162889

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione (CID 134262767) is 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione is O=C1CC([P+]2(O)N(c3ccccc3)CCN2c2ccccc2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione?
The InChIKey is ADSVGRAWHPVXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3P/c25-18-11-13-21(14-12-18)28-23(29)17-22(24(28)30)32(31)26(19-7-3-1-4-8-19)15-16-27(32)20-9-5-2-6-10-20/h1-14,22,31H,15-17H2/q+1.
What are the key properties of 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione has a molecular weight of 450.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-hydroxy-1,3-diphenyl-1,3,2-diazaphospholidin-2-ium-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 134262767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).