(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione

C27H18ClNO5 — CID 108685719

IUPAC(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(c2ccco2)/C1=C(/O)c1cccc(Cl)c1
InChIInChI=1S/C27H18ClNO5/c28-18-7-4-6-17(16-18)25(30)23-24(22-10-5-15-33-22)29(27(32)26(23)31)19-11-13-21(14-12-19)34-20-8-2-1-3-9-20/h1-16,24,30H/b25-23-
InChIKeyWCJJJTAHCUOZBK-BZZOAKBMSA-N
MW471.90 g/mol
LogP6.35
Rot. Bonds5

About (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione

(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione (PubChem CID 108685719) has the molecular formula C27H18ClNO5 and a molecular weight of 471.90 g/mol. Its IUPAC name is (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione
PubChem CID108685719
Molecular FormulaC27H18ClNO5
Molecular Weight471.90 g/mol
Exact Mass471.09
IUPAC Name(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(c2ccco2)/C1=C(/O)c1cccc(Cl)c1
InChIInChI=1S/C27H18ClNO5/c28-18-7-4-6-17(16-18)25(30)23-24(22-10-5-15-33-22)29(27(32)26(23)31)19-11-13-21(14-12-19)34-20-8-2-1-3-9-20/h1-16,24,30H/b25-23-
InChIKeyWCJJJTAHCUOZBK-BZZOAKBMSA-N
XLogP6.35
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.90
LogP ≤ 56.35
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

(4Z)-5-(furan-2-yl)-4-[hydroxy(5,6,7,8-tetrahydronaphthalen-2-yl)methylidene]-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108685713
(4Z)-1-(3-chlorophenyl)-4-[(3,4-dichlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108654808
(4Z)-1-(4-chlorophenyl)-5-(furan-2-yl)-4-[hydroxy-(3-nitrophenyl)methylidene]pyrrolidine-2,3-dione
CID 108654713
(4Z)-1-(4-ethoxyphenyl)-5-(furan-2-yl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
CID 108654343
(4Z)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-phenylpyrrolidine-2,3-dione
CID 108654620
(4Z)-4-[(4-chloro-3-methoxyphenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-phenylpyrrolidine-2,3-dione
CID 108654593
(4Z)-1-(3-chlorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108654786
(4Z)-1-(4-fluorophenyl)-5-(furan-2-yl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione
CID 108653609
4-[(3Z)-3-[(3-ethoxyphenyl)-hydroxymethylidene]-2-(furan-2-yl)-4,5-dioxopyrrolidin-1-yl]benzonitrile
CID 108655472
4-[(3Z)-2-(furan-2-yl)-3-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzonitrile
CID 108655474
(4Z)-4-[(2-chloro-5-methoxyphenyl)-hydroxymethylidene]-1-(4-chlorophenyl)-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108654729
(4Z)-1-(4-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108654686

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione (CID 108685719) is (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione is O=C1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(c2ccco2)/C1=C(/O)c1cccc(Cl)c1.
What is the InChIKey of (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is WCJJJTAHCUOZBK-BZZOAKBMSA-N. The full InChI is InChI=1S/C27H18ClNO5/c28-18-7-4-6-17(16-18)25(30)23-24(22-10-5-15-33-22)29(27(32)26(23)31)19-11-13-21(14-12-19)34-20-8-2-1-3-9-20/h1-16,24,30H/b25-23-.
What are the key properties of (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione?
(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 471.90 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-5-(furan-2-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 108685719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).