N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C18H12Cl3N3O3 — CID 16632719

IUPACN-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N/C(=C\c2cccc(Cl)c2Cl)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3N3O3/c19-11-4-6-12(7-5-11)22-15(25)9-24-17(26)14(23-18(24)27)8-10-2-1-3-13(20)16(10)21/h1-8H,9H2,(H,22,25)(H,23,27)/b14-8-
InChIKeyHXRPGJUOWDXVMX-ZSOIEALJSA-N
MW424.67 g/mol
LogP4.18
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 16632719) has the molecular formula C18H12Cl3N3O3 and a molecular weight of 424.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID16632719
Molecular FormulaC18H12Cl3N3O3
Molecular Weight424.67 g/mol
Exact Mass422.99
IUPAC NameN-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=O)N/C(=C\c2cccc(Cl)c2Cl)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H12Cl3N3O3/c19-11-4-6-12(7-5-11)22-15(25)9-24-17(26)14(23-18(24)27)8-10-2-1-3-13(20)16(10)21/h1-8H,9H2,(H,22,25)(H,23,27)/b14-8-
InChIKeyHXRPGJUOWDXVMX-ZSOIEALJSA-N
XLogP4.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 54.18
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

ethyl 4-[[2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 16632836
N-(4-chlorophenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632724
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-fluorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16632699
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
2-[(4Z)-4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 16632702
N-(4-chlorophenyl)-2-[(4E)-4-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 6392131
N-(4-chlorophenyl)-2-[2,5-dioxo-4-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidin-1-yl]acetamide
CID 4009588
2-[4-[(5-chloro-2-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 4587173
N-(4-methylphenyl)-2-[(4Z)-4-[(2-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 19256101
N-(4-fluorophenyl)-2-[(4Z)-4-[(2-iodophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 124553299
N-(4-chlorophenyl)-2-[4-[[3-(3-methoxyphenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 77425707

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 16632719) is N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is O=C(CN1C(=O)N/C(=C\c2cccc(Cl)c2Cl)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is HXRPGJUOWDXVMX-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H12Cl3N3O3/c19-11-4-6-12(7-5-11)22-15(25)9-24-17(26)14(23-18(24)27)8-10-2-1-3-13(20)16(10)21/h1-8H,9H2,(H,22,25)(H,23,27)/b14-8-.
What are the key properties of N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[(4Z)-4-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 424.67 g/mol, XLogP of 4.18, 4 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-[(2,3-dichlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 16632719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).