2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate

C20H15FNO5- — CID 7422920

IUPAC2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate
SMILESCc1ccc(C(O)=C2C(=O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FNO5/c1-11-2-4-13(5-3-11)18(25)16-17(12-6-8-14(21)9-7-12)22(10-15(23)24)20(27)19(16)26/h2-9,17,25H,10H2,1H3,(H,23,24)/p-1/t17-/m1/s1
InChIKeyQYZYZZFTQRDTPL-QGZVFWFLSA-M
MW368.34 g/mol
LogP1.31
Rot. Bonds4

About 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate

2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate (PubChem CID 7422920) has the molecular formula C20H15FNO5- and a molecular weight of 368.34 g/mol. Its IUPAC name is 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Name2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate
PubChem CID7422920
Molecular FormulaC20H15FNO5-
Molecular Weight368.34 g/mol
Exact Mass368.09
IUPAC Name2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate
SMILESCc1ccc(C(O)=C2C(=O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H16FNO5/c1-11-2-4-13(5-3-11)18(25)16-17(12-6-8-14(21)9-7-12)22(10-15(23)24)20(27)19(16)26/h2-9,17,25H,10H2,1H3,(H,23,24)/p-1/t17-/m1/s1
InChIKeyQYZYZZFTQRDTPL-QGZVFWFLSA-M
XLogP1.31
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 51.31
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'}

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Related Compounds

2-[(2S)-3-[(4-chlorophenyl)-hydroxymethylidene]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]acetate
CID 7380970
(5S)-5-(4-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
CID 7409371
5-(4-fluorophenyl)-1-hexyl-4-[hydroxy-(4-methylphenyl)methylidene]pyrrolidine-2,3-dione
CID 3740606
2-[(2R)-3-[hydroxy-(4-methylphenyl)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
CID 1108917
2-[(5R)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]acetic acid
CID 7584082
(4E)-1-(4-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 6081407
(5R)-1-[2-(diethylamino)ethyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 6996035
(5R)-1-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 1050151
(4Z)-5-(4-fluorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-propylpyrrolidine-2,3-dione
CID 108643410
3-[(2S)-2-(4-fluorophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propanoate
CID 7368232
(4Z)-5-(4-fluorophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 108641829
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2,3-dione
CID 146023671

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate?
The IUPAC name of 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate (CID 7422920) is 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate.
What is the SMILES notation for 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate?
The canonical SMILES for 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate is Cc1ccc(C(O)=C2C(=O)C(=O)N(CC(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate?
The InChIKey is QYZYZZFTQRDTPL-QGZVFWFLSA-M. The full InChI is InChI=1S/C20H16FNO5/c1-11-2-4-13(5-3-11)18(25)16-17(12-6-8-14(21)9-7-12)22(10-15(23)24)20(27)19(16)26/h2-9,17,25H,10H2,1H3,(H,23,24)/p-1/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate?
2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate has a molecular weight of 368.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-fluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 7422920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).