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

C25H16ClFN2O3 — CID 108599968

IUPAC(4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cccc(F)c2)C(c2ccc(Cl)cc2)/C1=C(/O)c1c[nH]c2ccccc12
InChIInChI=1S/C25H16ClFN2O3/c26-15-10-8-14(9-11-15)22-21(23(30)19-13-28-20-7-2-1-6-18(19)20)24(31)25(32)29(22)17-5-3-4-16(27)12-17/h1-13,22,28,30H/b23-21-
InChIKeyTYRVJLNFCOGOJW-LNVKXUELSA-N
MW446.87 g/mol
LogP5.59
Rot. Bonds3

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

(4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione (PubChem CID 108599968) has the molecular formula C25H16ClFN2O3 and a molecular weight of 446.87 g/mol. Its IUPAC name is (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
PubChem CID108599968
Molecular FormulaC25H16ClFN2O3
Molecular Weight446.87 g/mol
Exact Mass446.08
IUPAC Name(4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cccc(F)c2)C(c2ccc(Cl)cc2)/C1=C(/O)c1c[nH]c2ccccc12
InChIInChI=1S/C25H16ClFN2O3/c26-15-10-8-14(9-11-15)22-21(23(30)19-13-28-20-7-2-1-6-18(19)20)24(31)25(32)29(22)17-5-3-4-16(27)12-17/h1-13,22,28,30H/b23-21-
InChIKeyTYRVJLNFCOGOJW-LNVKXUELSA-N
XLogP5.59
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.87
LogP ≤ 55.59
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)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]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)-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-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 108622025
(4Z)-5-(3-chloro-4-hydroxyphenyl)-1-(3,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione
CID 108676496
(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108583155
(4E)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108600008
(4Z)-1-(2,4-difluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108639609
(4Z)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-(4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108575634
(4Z)-1-(3,4-dimethylphenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638584
(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]-1-(3-methoxyphenyl)-5-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108670930
(4E)-1-(3-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]-5-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108603503

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione (CID 108599968) is (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione is O=C1C(=O)N(c2cccc(F)c2)C(c2ccc(Cl)cc2)/C1=C(/O)c1c[nH]c2ccccc12.
What is the InChIKey of (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?
The InChIKey is TYRVJLNFCOGOJW-LNVKXUELSA-N. The full InChI is InChI=1S/C25H16ClFN2O3/c26-15-10-8-14(9-11-15)22-21(23(30)19-13-28-20-7-2-1-6-18(19)20)24(31)25(32)29(22)17-5-3-4-16(27)12-17/h1-13,22,28,30H/b23-21-.
What are the key properties of (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione?
(4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione has a molecular weight of 446.87 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(4-chlorophenyl)-1-(3-fluorophenyl)-4-[hydroxy(1H-indol-3-yl)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 108599968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).