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

C26H18F2N2O3 — CID 108584719

IUPAC(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
SMILESCc1cccc(C2/C(=C(/O)c3c[nH]c4ccccc34)C(=O)C(=O)N2c2ccc(F)cc2F)c1
InChIInChI=1S/C26H18F2N2O3/c1-14-5-4-6-15(11-14)23-22(24(31)18-13-29-20-8-3-2-7-17(18)20)25(32)26(33)30(23)21-10-9-16(27)12-19(21)28/h2-13,23,29,31H,1H3/b24-22-
InChIKeyLVDOCPHMOQOQOM-GYHWCHFESA-N
MW444.44 g/mol
LogP5.38
Rot. Bonds3

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

(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione (PubChem CID 108584719) has the molecular formula C26H18F2N2O3 and a molecular weight of 444.44 g/mol. Its IUPAC name is (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
PubChem CID108584719
Molecular FormulaC26H18F2N2O3
Molecular Weight444.44 g/mol
Exact Mass444.13
IUPAC Name(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
SMILESCc1cccc(C2/C(=C(/O)c3c[nH]c4ccccc34)C(=O)C(=O)N2c2ccc(F)cc2F)c1
InChIInChI=1S/C26H18F2N2O3/c1-14-5-4-6-15(11-14)23-22(24(31)18-13-29-20-8-3-2-7-17(18)20)25(32)26(33)30(23)21-10-9-16(27)12-19(21)28/h2-13,23,29,31H,1H3/b24-22-
InChIKeyLVDOCPHMOQOQOM-GYHWCHFESA-N
XLogP5.38
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108639609
(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108583155
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 108713027
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methoxyphenyl)-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108577229
(4Z)-1-(2,4-dimethylphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108630225
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-hydroxyphenyl)-1-(4-methylphenyl)pyrrolidine-2,3-dione
CID 108647503
(4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108599968
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(3-methylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632582
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]pyrrolidine-2,3-dione
CID 108670408
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-1-(3-methoxypropyl)-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108619715
(4E)-5-(2-fluorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108644524
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108575634

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione (CID 108584719) is (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione is Cc1cccc(C2/C(=C(/O)c3c[nH]c4ccccc34)C(=O)C(=O)N2c2ccc(F)cc2F)c1.
What is the InChIKey of (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione?
The InChIKey is LVDOCPHMOQOQOM-GYHWCHFESA-N. The full InChI is InChI=1S/C26H18F2N2O3/c1-14-5-4-6-15(11-14)23-22(24(31)18-13-29-20-8-3-2-7-17(18)20)25(32)26(33)30(23)21-10-9-16(27)12-19(21)28/h2-13,23,29,31H,1H3/b24-22-.
What are the key properties of (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione?
(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione has a molecular weight of 444.44 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108584719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).