(4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione

C24H20FNO4 — CID 108644414

IUPAC(4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILESCOCCN1C(=O)C(=O)/C(=C(/O)c2ccc3ccccc3c2)C1c1ccccc1F
InChIInChI=1S/C24H20FNO4/c1-30-13-12-26-21(18-8-4-5-9-19(18)25)20(23(28)24(26)29)22(27)17-11-10-15-6-2-3-7-16(15)14-17/h2-11,14,21,27H,12-13H2,1H3/b22-20+
InChIKeySVPOSWDIZCVEDX-LSDHQDQOSA-N
MW405.43 g/mol
LogP4.05
Rot. Bonds5

About (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione

(4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione (PubChem CID 108644414) has the molecular formula C24H20FNO4 and a molecular weight of 405.43 g/mol. Its IUPAC name is (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
PubChem CID108644414
Molecular FormulaC24H20FNO4
Molecular Weight405.43 g/mol
Exact Mass405.14
IUPAC Name(4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILESCOCCN1C(=O)C(=O)/C(=C(/O)c2ccc3ccccc3c2)C1c1ccccc1F
InChIInChI=1S/C24H20FNO4/c1-30-13-12-26-21(18-8-4-5-9-19(18)25)20(23(28)24(26)29)22(27)17-11-10-15-6-2-3-7-16(15)14-17/h2-11,14,21,27H,12-13H2,1H3/b22-20+
InChIKeySVPOSWDIZCVEDX-LSDHQDQOSA-N
XLogP4.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(4E)-5-(4-fluorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 5853416
4-(4-fluorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1H-pyrrol-2-one
CID 5731813
5-(o-Fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-4-[(2,5-xylyl)carbonyl]-3-pyrrolin-2-one
CID 2934295
5-(2-fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one
CID 5732824
3-hydroxy-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
CID 5734444
5-(3-Fluoro-phenyl)-3-hydroxy-1-(2-hydroxy-propyl)-4-(4-methyl-benzoyl)-1,5-dihydro-pyrrol-2-one
CID 5941946
3-hydroxy-1-(2-methoxyethyl)-4-[(4-methylphenyl)carbonyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-2-one
CID 6163486
(4Z)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 6201345
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 6260803
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 52937213
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 52937214
(4E)-5-[2,4-bis(trifluoromethyl)phenyl]-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxypropyl)pyrrolidine-2,3-dione
CID 52937215

Frequently Asked Questions

What is the IUPAC name of (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione?
The IUPAC name of (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione (CID 108644414) is (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione is COCCN1C(=O)C(=O)/C(=C(/O)c2ccc3ccccc3c2)C1c1ccccc1F.
What is the InChIKey of (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione?
The InChIKey is SVPOSWDIZCVEDX-LSDHQDQOSA-N. The full InChI is InChI=1S/C24H20FNO4/c1-30-13-12-26-21(18-8-4-5-9-19(18)25)20(23(28)24(26)29)22(27)17-11-10-15-6-2-3-7-16(15)14-17/h2-11,14,21,27H,12-13H2,1H3/b22-20+.
What are the key properties of (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione?
(4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione has a molecular weight of 405.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108644414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).