(4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

C25H22FNO5 — CID 108645211

IUPAC(4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
SMILESCC(C)Oc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccccc2F)c1
InChIInChI=1S/C25H22FNO5/c1-15(2)32-17-8-5-7-16(13-17)23(28)21-22(19-10-3-4-11-20(19)26)27(25(30)24(21)29)14-18-9-6-12-31-18/h3-13,15,22,28H,14H2,1-2H3/b23-21-
InChIKeySFSWSJLPDYUYJX-LNVKXUELSA-N
MW435.45 g/mol
LogP4.83
Rot. Bonds6

About (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

(4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione (PubChem CID 108645211) has the molecular formula C25H22FNO5 and a molecular weight of 435.45 g/mol. Its IUPAC name is (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
PubChem CID108645211
Molecular FormulaC25H22FNO5
Molecular Weight435.45 g/mol
Exact Mass435.15
IUPAC Name(4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
SMILESCC(C)Oc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccccc2F)c1
InChIInChI=1S/C25H22FNO5/c1-15(2)32-17-8-5-7-16(13-17)23(28)21-22(19-10-3-4-11-20(19)26)27(25(30)24(21)29)14-18-9-6-12-31-18/h3-13,15,22,28H,14H2,1-2H3/b23-21-
InChIKeySFSWSJLPDYUYJX-LNVKXUELSA-N
XLogP4.83
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.83
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

(5R)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 1277127
(4Z)-5-(2-fluorophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(2-propan-2-yloxyethyl)pyrrolidine-2,3-dione
CID 108644450
(4Z)-1-(furan-2-ylmethyl)-5-(3-hydroxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108647768
(4Z)-1-(furan-2-ylmethyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-naphthalen-1-ylpyrrolidine-2,3-dione
CID 108597433
(5R)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 1307510
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 7465021
(4E)-4-[(4-fluoro-3-methylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108651421
(4Z)-1-(furan-2-ylmethyl)-4-[hydroxy(phenyl)methylidene]-5-(2-methylphenyl)pyrrolidine-2,3-dione
CID 108651386
(4E)-4-[(5-chloro-2-methoxyphenyl)-hydroxymethylidene]-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)pyrrolidine-2,3-dione
CID 108645198
(4Z)-5-(2-fluorophenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-1-(2-propan-2-yloxyethyl)pyrrolidine-2,3-dione
CID 108644449
1-benzyl-5-(2-fluorophenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 5208115
(4Z)-1-(furan-2-ylmethyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108612376

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione (CID 108645211) is (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione is CC(C)Oc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccccc2F)c1.
What is the InChIKey of (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione?
The InChIKey is SFSWSJLPDYUYJX-LNVKXUELSA-N. The full InChI is InChI=1S/C25H22FNO5/c1-15(2)32-17-8-5-7-16(13-17)23(28)21-22(19-10-3-4-11-20(19)26)27(25(30)24(21)29)14-18-9-6-12-31-18/h3-13,15,22,28H,14H2,1-2H3/b23-21-.
What are the key properties of (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione?
(4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione has a molecular weight of 435.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 108645211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).