N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

C21H22BrN3O3 — CID 2161530

IUPACN-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O
InChIInChI=1S/C21H22BrN3O3/c1-3-11-21(15-7-5-4-6-8-15)19(27)25(20(28)24-21)13-18(26)23-17-10-9-14(2)12-16(17)22/h4-10,12H,3,11,13H2,1-2H3,(H,23,26)(H,24,28)/t21-/m1/s1
InChIKeyBBUNVMZBAJAAEQ-OAQYLSRUSA-N
MW444.33 g/mol
LogP3.94
Rot. Bonds6

About N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (PubChem CID 2161530) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
PubChem CID2161530
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O
InChIInChI=1S/C21H22BrN3O3/c1-3-11-21(15-7-5-4-6-8-15)19(27)25(20(28)24-21)13-18(26)23-17-10-9-14(2)12-16(17)22/h4-10,12H,3,11,13H2,1-2H3,(H,23,26)(H,24,28)/t21-/m1/s1
InChIKeyBBUNVMZBAJAAEQ-OAQYLSRUSA-N
XLogP3.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.94
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-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55326971
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 16545970
N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703713
N-(2-bromo-4-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964411
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40965115
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
N-(2-chloro-5-nitrophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703755

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (CID 2161530) is N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2Br)C1=O.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The InChIKey is BBUNVMZBAJAAEQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-3-11-21(15-7-5-4-6-8-15)19(27)25(20(28)24-21)13-18(26)23-17-10-9-14(2)12-16(17)22/h4-10,12H,3,11,13H2,1-2H3,(H,23,26)(H,24,28)/t21-/m1/s1.
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide has a molecular weight of 444.33 g/mol, XLogP of 3.94, 6 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-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2161530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).