N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C18H20BrN3O4 — CID 39951715

IUPACN-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccccc2Br)C1=O
InChIInChI=1S/C18H20BrN3O4/c1-11-6-2-5-9-14(11)22-17(25)16(24)21(18(22)26)10-15(23)20-13-8-4-3-7-12(13)19/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,20,23)/t11-,14-/m1/s1
InChIKeyJZASWNMUTVCKEE-BXUZGUMPSA-N
MW422.28 g/mol
LogP2.76
Rot. Bonds4

About N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 39951715) has the molecular formula C18H20BrN3O4 and a molecular weight of 422.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID39951715
Molecular FormulaC18H20BrN3O4
Molecular Weight422.28 g/mol
Exact Mass421.06
IUPAC NameN-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESC[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccccc2Br)C1=O
InChIInChI=1S/C18H20BrN3O4/c1-11-6-2-5-9-14(11)22-17(25)16(24)21(18(22)26)10-15(23)20-13-8-4-3-7-12(13)19/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,20,23)/t11-,14-/m1/s1
InChIKeyJZASWNMUTVCKEE-BXUZGUMPSA-N
XLogP2.76
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 7800406
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 7800483
ethyl 2-[[2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7800605
N-(2,6-dimethylphenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800366
N-(2,6-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800363
2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 40842843
N-(4-acetamidophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800665
N-(2,4-dimethylphenyl)-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800531
N-(2,4-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800530
N-[(2-fluorophenyl)carbamoyl]-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799936
N-(2,5-difluorophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799757
N-(5-chloro-2-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799669

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 39951715) is N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is C[C@@H]1CCCC[C@H]1N1C(=O)C(=O)N(CC(=O)Nc2ccccc2Br)C1=O.
What is the InChIKey of N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is JZASWNMUTVCKEE-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H20BrN3O4/c1-11-6-2-5-9-14(11)22-17(25)16(24)21(18(22)26)10-15(23)20-13-8-4-3-7-12(13)19/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,20,23)/t11-,14-/m1/s1.
What are the key properties of N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 422.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 39951715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).