(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione

C23H14F2N2O5 — CID 108639731

IUPAC(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cc(F)ccc2F)C(c2ccccc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H14F2N2O5/c24-15-9-10-17(25)18(12-15)26-20(13-5-2-1-3-6-13)19(22(29)23(26)30)21(28)14-7-4-8-16(11-14)27(31)32/h1-12,20,28H/b21-19-
InChIKeySDYUHOVSYNZTFN-VZCXRCSSSA-N
MW436.37 g/mol
LogP4.50
Rot. Bonds4

About (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione

(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione (PubChem CID 108639731) has the molecular formula C23H14F2N2O5 and a molecular weight of 436.37 g/mol. Its IUPAC name is (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
PubChem CID108639731
Molecular FormulaC23H14F2N2O5
Molecular Weight436.37 g/mol
Exact Mass436.09
IUPAC Name(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2cc(F)ccc2F)C(c2ccccc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H14F2N2O5/c24-15-9-10-17(25)18(12-15)26-20(13-5-2-1-3-6-13)19(22(29)23(26)30)21(28)14-7-4-8-16(11-14)27(31)32/h1-12,20,28H/b21-19-
InChIKeySDYUHOVSYNZTFN-VZCXRCSSSA-N
XLogP4.50
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-1-(2,5-difluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108634095
(4Z)-1-(4-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108711813
(4E)-1-(2,5-difluorophenyl)-4-[(2,6-dimethoxyphenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 108639755
(4E)-1-(3,5-dichlorophenyl)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
CID 108680604
(4E)-1-(2,5-difluorophenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108639708
(4E)-1-(3-chloro-4-fluorophenyl)-5-(4-ethylphenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
CID 108683206
(4Z)-1-(4-fluorophenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638104
(4E)-4-[(3-bromo-4-methoxyphenyl)-hydroxymethylidene]-1-(2,5-difluorophenyl)-5-phenylpyrrolidine-2,3-dione
CID 108639773
(4E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108598190
(4E)-1-(1,3-benzodioxol-5-yl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108598277
(4Z)-5-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
CID 108694888
(4E)-1-(2,4-difluorophenyl)-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]-5-phenylpyrrolidine-2,3-dione
CID 108639650

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione (CID 108639731) is (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione is O=C1C(=O)N(c2cc(F)ccc2F)C(c2ccccc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione?
The InChIKey is SDYUHOVSYNZTFN-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H14F2N2O5/c24-15-9-10-17(25)18(12-15)26-20(13-5-2-1-3-6-13)19(22(29)23(26)30)21(28)14-7-4-8-16(11-14)27(31)32/h1-12,20,28H/b21-19-.
What are the key properties of (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione?
(4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione has a molecular weight of 436.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(2,5-difluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione is sourced from PubChem (CID 108639731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).