(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione

C25H16F2N2O4 — CID 108583155

IUPAC(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cc(F)ccc2F)C(c2ccc(O)cc2)/C1=C(/O)c1c[nH]c2ccccc12
InChIInChI=1S/C25H16F2N2O4/c26-14-7-10-18(27)20(11-14)29-22(13-5-8-15(30)9-6-13)21(24(32)25(29)33)23(31)17-12-28-19-4-2-1-3-16(17)19/h1-12,22,28,30-31H/b23-21-
InChIKeyKNDOSPWYFWLLQF-LNVKXUELSA-N
MW446.41 g/mol
LogP4.78
Rot. Bonds3

About (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione

(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108583155) has the molecular formula C25H16F2N2O4 and a molecular weight of 446.41 g/mol. Its IUPAC name is (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
PubChem CID108583155
Molecular FormulaC25H16F2N2O4
Molecular Weight446.41 g/mol
Exact Mass446.11
IUPAC Name(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cc(F)ccc2F)C(c2ccc(O)cc2)/C1=C(/O)c1c[nH]c2ccccc12
InChIInChI=1S/C25H16F2N2O4/c26-14-7-10-18(27)20(11-14)29-22(13-5-8-15(30)9-6-13)21(24(32)25(29)33)23(31)17-12-28-19-4-2-1-3-16(17)19/h1-12,22,28,30-31H/b23-21-
InChIKeyKNDOSPWYFWLLQF-LNVKXUELSA-N
XLogP4.78
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 54.78
H-Bond Donors ≤ 53
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

(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108639609
(4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108599968
(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108584719
(4Z)-5-(4-chlorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108641163
(4E)-5-(2-fluorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108644524
(4Z)-1-cyclohexyl-5-(4-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108643016
(4Z)-5-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108676496
(4E)-1-(2,4-difluorophenyl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 108583074
(4E)-4-[hydroxy(1H-indol-3-yl)methylidene]-1,5-bis(2-methylphenyl)pyrrolidine-2,3-dione
CID 108651206
(4Z)-1-(3,4-dimethylphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638584
(4E)-4-[(3,5-dichloro-2-methoxyphenyl)-hydroxymethylidene]-1-(2,5-difluorophenyl)-5-phenylpyrrolidine-2,3-dione
CID 108639713
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(2-hydroxyphenyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629272

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione (CID 108583155) is (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione is O=C1C(=O)N(c2cc(F)ccc2F)C(c2ccc(O)cc2)/C1=C(/O)c1c[nH]c2ccccc12.
What is the InChIKey of (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is KNDOSPWYFWLLQF-LNVKXUELSA-N. The full InChI is InChI=1S/C25H16F2N2O4/c26-14-7-10-18(27)20(11-14)29-22(13-5-8-15(30)9-6-13)21(24(32)25(29)33)23(31)17-12-28-19-4-2-1-3-16(17)19/h1-12,22,28,30-31H/b23-21-.
What are the key properties of (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione?
(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 446.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108583155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).