N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C21H18ClN3O3 — CID 16632725

IUPACN-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)=C\c1ccccc1
InChIInChI=1S/C21H18ClN3O3/c1-14(11-15-5-3-2-4-6-15)12-18-20(27)25(21(28)24-18)13-19(26)23-17-9-7-16(22)8-10-17/h2-12H,13H2,1H3,(H,23,26)(H,24,28)/b14-11+,18-12-
InChIKeyCLVTWHIBBQSUEO-UJUKKVGJSA-N
MW395.85 g/mol
LogP3.82
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 16632725) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID16632725
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)=C\c1ccccc1
InChIInChI=1S/C21H18ClN3O3/c1-14(11-15-5-3-2-4-6-15)12-18-20(27)25(21(28)24-18)13-19(26)23-17-9-7-16(22)8-10-17/h2-12H,13H2,1H3,(H,23,26)(H,24,28)/b14-11+,18-12-
InChIKeyCLVTWHIBBQSUEO-UJUKKVGJSA-N
XLogP3.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.82
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-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
N-(4-chlorophenyl)-2-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 4760431
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
N-(4-chlorophenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632724
N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632719
N-(4-chlorophenyl)-2-[4-[[3-(3-methoxyphenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 77425707
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 16632629
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
CID 4009588
ethyl 4-[[2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 16632824
2-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 3389847
2-[(4Z)-4-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 39840542

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 16632725) is N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is CC(/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)=C\c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is CLVTWHIBBQSUEO-UJUKKVGJSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-14(11-15-5-3-2-4-6-15)12-18-20(27)25(21(28)24-18)13-19(26)23-17-9-7-16(22)8-10-17/h2-12H,13H2,1H3,(H,23,26)(H,24,28)/b14-11+,18-12-.
What are the key properties of N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 395.85 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(4Z)-4-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 16632725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).