N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C22H24BrN3O3 — CID 55326971

IUPACN-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O
InChIInChI=1S/C22H24BrN3O3/c1-3-4-12-22(16-8-6-5-7-9-16)20(28)26(21(29)25-22)14-19(27)24-18-11-10-15(2)13-17(18)23/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyLEBXDGMVEWLWRM-UHFFFAOYSA-N
MW458.36 g/mol
LogP4.33
Rot. Bonds7

About N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 55326971) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID55326971
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O
InChIInChI=1S/C22H24BrN3O3/c1-3-4-12-22(16-8-6-5-7-9-16)20(28)26(21(29)25-22)14-19(27)24-18-11-10-15(2)13-17(18)23/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyLEBXDGMVEWLWRM-UHFFFAOYSA-N
XLogP4.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2161530
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 55326957
N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964411
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 7622092
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40965115
N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703713
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
N-(2,4-dimethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2429663
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2582755

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 55326971) is N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is LEBXDGMVEWLWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-3-4-12-22(16-8-6-5-7-9-16)20(28)26(21(29)25-22)14-19(27)24-18-11-10-15(2)13-17(18)23/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-(2-bromo-4-methylphenyl)-2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 458.36 g/mol, XLogP of 4.33, 7 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-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55326971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).