N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C18H13FIN3O3 — CID 124553299

IUPACN-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N/C(=C\c2ccccc2I)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FIN3O3/c19-12-5-7-13(8-6-12)21-16(24)10-23-17(25)15(22-18(23)26)9-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,21,24)(H,22,26)/b15-9-
InChIKeyOHSUYLGAHVBNQD-DHDCSXOGSA-N
MW465.22 g/mol
LogP2.96
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 124553299) has the molecular formula C18H13FIN3O3 and a molecular weight of 465.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID124553299
Molecular FormulaC18H13FIN3O3
Molecular Weight465.22 g/mol
Exact Mass465.00
IUPAC NameN-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N/C(=C\c2ccccc2I)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FIN3O3/c19-12-5-7-13(8-6-12)21-16(24)10-23-17(25)15(22-18(23)26)9-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,21,24)(H,22,26)/b15-9-
InChIKeyOHSUYLGAHVBNQD-DHDCSXOGSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[(4Z)-4-[(2-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632699
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
2-[(4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 16632702
N-(4-chlorophenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632724
N-(4-fluorophenyl)-2-[(4E)-4-[(3-methoxy-2-propan-2-yloxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 22778642
2-[(4Z)-4-[(1,5-dimethylpyrrol-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 50855848
N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632719
N-(4-fluorophenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3410133
N-(4-ethoxyphenyl)-2-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632809
2-[(4E)-4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 6519870
N-(2-fluorophenyl)-2-[(4E)-4-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126206852
2-[(4E)-4-[[2-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126101551

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 124553299) is N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)N/C(=C\c2ccccc2I)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OHSUYLGAHVBNQD-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H13FIN3O3/c19-12-5-7-13(8-6-12)21-16(24)10-23-17(25)15(22-18(23)26)9-11-3-1-2-4-14(11)20/h1-9H,10H2,(H,21,24)(H,22,26)/b15-9-.
What are the key properties of N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 465.22 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 124553299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).