N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C20H28BrN3O3 — CID 42964411

IUPACN-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O
InChIInChI=1S/C20H28BrN3O3/c1-4-5-6-7-8-11-20(3)18(26)24(19(27)23-20)13-17(25)22-16-10-9-14(2)12-15(16)21/h9-10,12H,4-8,11,13H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyJXJRGRNVZGSDMG-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.37
Rot. Bonds9

About N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 42964411) has the molecular formula C20H28BrN3O3 and a molecular weight of 438.37 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID42964411
Molecular FormulaC20H28BrN3O3
Molecular Weight438.37 g/mol
Exact Mass437.13
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O
InChIInChI=1S/C20H28BrN3O3/c1-4-5-6-7-8-11-20(3)18(26)24(19(27)23-20)13-17(25)22-16-10-9-14(2)12-15(16)21/h9-10,12H,4-8,11,13H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyJXJRGRNVZGSDMG-UHFFFAOYSA-N
XLogP4.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.37
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'}

Analyze N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55326971
N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2161530
2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 98230070
N-(2-bromo-4-methylphenyl)-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16546024
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
N-(5-chloro-2-methoxyphenyl)-2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 98230090
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
N-(2,4-dibromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2558770
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230060
N-(2-ethyl-6-methylphenyl)-2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7639984
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230058

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 42964411) is N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCCCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is JXJRGRNVZGSDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN3O3/c1-4-5-6-7-8-11-20(3)18(26)24(19(27)23-20)13-17(25)22-16-10-9-14(2)12-15(16)21/h9-10,12H,4-8,11,13H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 438.37 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 42964411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).