(4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione

C24H17FN2O6 — CID 108602572

IUPAC(4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccc([N+](=O)[O-])c3)C2c2ccccc2F)c1
InChIInChI=1S/C24H17FN2O6/c1-33-17-9-5-7-15(13-17)26-21(18-10-2-3-11-19(18)25)20(23(29)24(26)30)22(28)14-6-4-8-16(12-14)27(31)32/h2-13,21,28H,1H3/b22-20+
InChIKeyFJRZFQJSJJDHKI-LSDHQDQOSA-N
MW448.41 g/mol
LogP4.37
Rot. Bonds5

About (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione

(4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108602572) has the molecular formula C24H17FN2O6 and a molecular weight of 448.41 g/mol. Its IUPAC name is (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
PubChem CID108602572
Molecular FormulaC24H17FN2O6
Molecular Weight448.41 g/mol
Exact Mass448.11
IUPAC Name(4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccc([N+](=O)[O-])c3)C2c2ccccc2F)c1
InChIInChI=1S/C24H17FN2O6/c1-33-17-9-5-7-15(13-17)26-21(18-10-2-3-11-19(18)25)20(23(29)24(26)30)22(28)14-6-4-8-16(12-14)27(31)32/h2-13,21,28H,1H3/b22-20+
InChIKeyFJRZFQJSJJDHKI-LSDHQDQOSA-N
XLogP4.37
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(4Z)-5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108644911
(5S)-4-[hydroxy(phenyl)methylidene]-1-(3-methoxyphenyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
CID 1119656
(4E)-1-(3,5-dichlorophenyl)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
CID 108680604
(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-(3-methoxyphenyl)-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108577264
(4E)-4-[(3-bromo-4-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602614
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602566
(4Z)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-(3-methoxyphenyl)-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108677139
(4Z)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
CID 108675139
(4E)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-(2-methylphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108650980
5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-nitrophenyl)pyrrolidine-2,3-dione
CID 2878507
(4E)-5-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
CID 108700518
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 108602588

Frequently Asked Questions

What is the IUPAC name of (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione (CID 108602572) is (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione is COc1cccc(N2C(=O)C(=O)/C(=C(/O)c3cccc([N+](=O)[O-])c3)C2c2ccccc2F)c1.
What is the InChIKey of (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is FJRZFQJSJJDHKI-LSDHQDQOSA-N. The full InChI is InChI=1S/C24H17FN2O6/c1-33-17-9-5-7-15(13-17)26-21(18-10-2-3-11-19(18)25)20(23(29)24(26)30)22(28)14-6-4-8-16(12-14)27(31)32/h2-13,21,28H,1H3/b22-20+.
What are the key properties of (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione?
(4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 448.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-(2-fluorophenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108602572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).