N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C18H23Cl2N3O3 — CID 3972786

IUPACN-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C18H23Cl2N3O3/c1-3-4-5-6-9-18(2)16(25)23(17(26)22-18)11-15(24)21-12-7-8-13(19)14(20)10-12/h7-8,10H,3-6,9,11H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyHNWJSASRJGBPLW-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.21
Rot. Bonds8

About N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 3972786) has the molecular formula C18H23Cl2N3O3 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID3972786
Molecular FormulaC18H23Cl2N3O3
Molecular Weight400.31 g/mol
Exact Mass399.11
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C18H23Cl2N3O3/c1-3-4-5-6-9-18(2)16(25)23(17(26)22-18)11-15(24)21-12-7-8-13(19)14(20)10-12/h7-8,10H,3-6,9,11H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyHNWJSASRJGBPLW-UHFFFAOYSA-N
XLogP4.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230058
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230060
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916930
N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7916875
N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 98230090
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2488720
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 16545038
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916645

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 3972786) is N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is HNWJSASRJGBPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O3/c1-3-4-5-6-9-18(2)16(25)23(17(26)22-18)11-15(24)21-12-7-8-13(19)14(20)10-12/h7-8,10H,3-6,9,11H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 400.31 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 3972786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).