2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

C26H18FN3O3 — CID 126223490

IUPAC2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1F
InChIInChI=1S/C26H18FN3O3/c27-21-11-5-6-12-22(21)28-24(31)15-30-25(32)23(29-26(30)33)14-20-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)20/h1-14H,15H2,(H,28,31)(H,29,33)/b23-14+
InChIKeyOSEZAYJSBHWCDF-OEAKJJBVSA-N
MW439.45 g/mol
LogP4.66
Rot. Bonds4

About 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 126223490) has the molecular formula C26H18FN3O3 and a molecular weight of 439.45 g/mol. Its IUPAC name is 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID126223490
Molecular FormulaC26H18FN3O3
Molecular Weight439.45 g/mol
Exact Mass439.13
IUPAC Name2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1F
InChIInChI=1S/C26H18FN3O3/c27-21-11-5-6-12-22(21)28-24(31)15-30-25(32)23(29-26(30)33)14-20-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)20/h1-14H,15H2,(H,28,31)(H,29,33)/b23-14+
InChIKeyOSEZAYJSBHWCDF-OEAKJJBVSA-N
XLogP4.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 126258315
2-[(4Z)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16632879
2-[(4E)-4-[(4-bromothiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126218386
2-[(4E)-4-[(4-ethoxynaphthalen-1-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126208081
2-[3-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
CID 126207203
2-[(4E)-4-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126206163
ethyl 4-[[2-[(4Z)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 16632852
2-[(4E)-4-[(3-chloro-4,5-dimethoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126217558
2-[2,6-dibromo-4-[(E)-[1-[2-(2-fluoroanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]phenoxy]acetic acid
CID 126218191
2-[(4E)-4-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126223715
2-[(4E)-4-[[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126210144
N-(2-fluorophenyl)-2-[(4E)-4-[(5-methyl-1-propan-2-ylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50857074

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 126223490) is 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is O=C(CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc23)C1=O)Nc1ccccc1F.
What is the InChIKey of 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is OSEZAYJSBHWCDF-OEAKJJBVSA-N. The full InChI is InChI=1S/C26H18FN3O3/c27-21-11-5-6-12-22(21)28-24(31)15-30-25(32)23(29-26(30)33)14-20-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)20/h1-14H,15H2,(H,28,31)(H,29,33)/b23-14+.
What are the key properties of 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 439.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-(anthracen-9-ylmethylidene)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 126223490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).