(4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione

C24H18FNO4 — CID 108583248

IUPAC(4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)cc2)C(c2ccc(O)cc2)/C1=C(/O)c1ccccc1
InChIInChI=1S/C24H18FNO4/c25-18-10-6-15(7-11-18)14-26-21(16-8-12-19(27)13-9-16)20(23(29)24(26)30)22(28)17-4-2-1-3-5-17/h1-13,21,27-28H,14H2/b22-20-
InChIKeyPENGLUQAJDPKSK-XDOYNYLZSA-N
MW403.41 g/mol
LogP4.15
Rot. Bonds4

About (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione

(4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione (PubChem CID 108583248) has the molecular formula C24H18FNO4 and a molecular weight of 403.41 g/mol. Its IUPAC name is (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
PubChem CID108583248
Molecular FormulaC24H18FNO4
Molecular Weight403.41 g/mol
Exact Mass403.12
IUPAC Name(4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)cc2)C(c2ccc(O)cc2)/C1=C(/O)c1ccccc1
InChIInChI=1S/C24H18FNO4/c25-18-10-6-15(7-11-18)14-26-21(16-8-12-19(27)13-9-16)20(23(29)24(26)30)22(28)17-4-2-1-3-5-17/h1-13,21,27-28H,14H2/b22-20-
InChIKeyPENGLUQAJDPKSK-XDOYNYLZSA-N
XLogP4.15
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5S)-1-benzyl-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 7477953
(4Z)-4-[(4-ethylphenyl)-hydroxymethylidene]-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108583263
ethyl 4-[[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]methyl]benzoate
CID 108708209
(4Z)-1-[(4-fluorophenyl)methyl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108640954
(4Z)-1-[(4-fluorophenyl)methyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108583304
(5S)-1-benzyl-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 26771893
(4E)-5-(4-chlorophenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[(4-chlorophenyl)methyl]pyrrolidine-2,3-dione
CID 6236425
(4E)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-methylpropyl)pyrrolidine-2,3-dione
CID 6253435
(4Z)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-4-[hydroxy-(4-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108601798
(4Z)-4-[3,4-dihydro-2H-chromen-6-yl(hydroxy)methylidene]-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108583310
(4E)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108617278
(4E,5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 5444086

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione (CID 108583248) is (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is O=C1C(=O)N(Cc2ccc(F)cc2)C(c2ccc(O)cc2)/C1=C(/O)c1ccccc1.
What is the InChIKey of (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione?
The InChIKey is PENGLUQAJDPKSK-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H18FNO4/c25-18-10-6-15(7-11-18)14-26-21(16-8-12-19(27)13-9-16)20(23(29)24(26)30)22(28)17-4-2-1-3-5-17/h1-13,21,27-28H,14H2/b22-20-.
What are the key properties of (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione?
(4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione has a molecular weight of 403.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-[(4-fluorophenyl)methyl]-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 108583248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).