2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H22F3N3O3 — CID 16632884

IUPAC2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C23H22F3N3O3/c1-22(2,3)15-9-7-14(8-10-15)11-18-20(31)29(21(32)28-18)13-19(30)27-17-6-4-5-16(12-17)23(24,25)26/h4-12H,13H2,1-3H3,(H,27,30)(H,28,32)/b18-11-
InChIKeyOVOIPVPUSFRDND-WQRHYEAKSA-N
MW445.44 g/mol
LogP4.53
Rot. Bonds4

About 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 16632884) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID16632884
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1
InChIInChI=1S/C23H22F3N3O3/c1-22(2,3)15-9-7-14(8-10-15)11-18-20(31)29(21(32)28-18)13-19(30)27-17-6-4-5-16(12-17)23(24,25)26/h4-12H,13H2,1-3H3,(H,27,30)(H,28,32)/b18-11-
InChIKeyOVOIPVPUSFRDND-WQRHYEAKSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.53
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'}

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Related Compounds

2-[(4E)-4-[(4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 167885181
2-[(4E)-2,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126108576
2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632893
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18873952
2-[(4E)-4-[(4-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126112477
2-[(4Z)-2,5-dioxo-4-[(4-phenylphenyl)methylidene]imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16632657
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16629154
2-[5-[(4-ethylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3335031
2-[(4Z)-4-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 6045074
2-[(5Z)-5-[(4-bromophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632084
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16632075

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 16632884) is 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CC(C)(C)c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1.
What is the InChIKey of 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OVOIPVPUSFRDND-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-22(2,3)15-9-7-14(8-10-15)11-18-20(31)29(21(32)28-18)13-19(30)27-17-6-4-5-16(12-17)23(24,25)26/h4-12H,13H2,1-3H3,(H,27,30)(H,28,32)/b18-11-.
What are the key properties of 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 445.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-[(4-tert-butylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16632884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).