(4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione

C26H24FNO3 — CID 108643494

IUPAC(4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione
SMILESCCCCCN1C(=O)C(=O)/C(=C(\O)c2cccc3ccccc23)C1c1ccc(F)cc1
InChIInChI=1S/C26H24FNO3/c1-2-3-6-16-28-23(18-12-14-19(27)15-13-18)22(25(30)26(28)31)24(29)21-11-7-9-17-8-4-5-10-20(17)21/h4-5,7-15,23,29H,2-3,6,16H2,1H3/b24-22-
InChIKeyUILNNGZUPNEVJR-GYHWCHFESA-N
MW417.48 g/mol
LogP5.59
Rot. Bonds6

About (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione

(4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione (PubChem CID 108643494) has the molecular formula C26H24FNO3 and a molecular weight of 417.48 g/mol. Its IUPAC name is (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione
PubChem CID108643494
Molecular FormulaC26H24FNO3
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC Name(4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione
SMILESCCCCCN1C(=O)C(=O)/C(=C(\O)c2cccc3ccccc23)C1c1ccc(F)cc1
InChIInChI=1S/C26H24FNO3/c1-2-3-6-16-28-23(18-12-14-19(27)15-13-18)22(25(30)26(28)31)24(29)21-11-7-9-17-8-4-5-10-20(17)21/h4-5,7-15,23,29H,2-3,6,16H2,1H3/b24-22-
InChIKeyUILNNGZUPNEVJR-GYHWCHFESA-N
XLogP5.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-5-[4-(dimethylamino)phenyl]-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione
CID 108615956
(4Z)-1-butyl-5-(4-tert-butylphenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]pyrrolidine-2,3-dione
CID 108620770
(4E)-5-(4-fluorophenyl)-1-hexadecyl-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 6082152
(4Z)-1-butyl-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(3-methylphenyl)pyrrolidine-2,3-dione
CID 108620013
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-5-(4-propan-2-ylphenyl)-1-propylpyrrolidine-2,3-dione
CID 108643965
(4Z)-1-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[hydroxy(naphthalen-1-yl)methylidene]pyrrolidine-2,3-dione
CID 108665161
(4E)-1-butyl-5-(2,3-dimethoxyphenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]pyrrolidine-2,3-dione
CID 108615310
5-(4-fluorophenyl)-1-hexyl-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
CID 3740606
(4Z)-5-(4-ethoxyphenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
CID 108635515
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-(2-methoxyethyl)-5-phenylpyrrolidine-2,3-dione
CID 108637771
(4E,5S)-5-(4-fluorophenyl)-1-hexadecyl-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 98382521
(4E)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-pentylpyrrolidine-2,3-dione
CID 108643508

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione (CID 108643494) is (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione is CCCCCN1C(=O)C(=O)/C(=C(\O)c2cccc3ccccc23)C1c1ccc(F)cc1.
What is the InChIKey of (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione?
The InChIKey is UILNNGZUPNEVJR-GYHWCHFESA-N. The full InChI is InChI=1S/C26H24FNO3/c1-2-3-6-16-28-23(18-12-14-19(27)15-13-18)22(25(30)26(28)31)24(29)21-11-7-9-17-8-4-5-10-20(17)21/h4-5,7-15,23,29H,2-3,6,16H2,1H3/b24-22-.
What are the key properties of (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione?
(4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione has a molecular weight of 417.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-pentylpyrrolidine-2,3-dione is sourced from PubChem (CID 108643494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).