2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C14H15Br2N3O4 — CID 17459336

IUPAC2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)COc2ccc(Br)cc2Br)C1=O
InChIInChI=1S/C14H15Br2N3O4/c1-3-14(2)12(21)19(13(22)17-14)18-11(20)7-23-10-5-4-8(15)6-9(10)16/h4-6H,3,7H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyHGXSDQKBGLDSPW-UHFFFAOYSA-N
MW449.10 g/mol
LogP2.34
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 17459336) has the molecular formula C14H15Br2N3O4 and a molecular weight of 449.10 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID17459336
Molecular FormulaC14H15Br2N3O4
Molecular Weight449.10 g/mol
Exact Mass446.94
IUPAC Name2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)COc2ccc(Br)cc2Br)C1=O
InChIInChI=1S/C14H15Br2N3O4/c1-3-14(2)12(21)19(13(22)17-14)18-11(20)7-23-10-5-4-8(15)6-9(10)16/h4-6H,3,7H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyHGXSDQKBGLDSPW-UHFFFAOYSA-N
XLogP2.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.10
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46693871
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
2-(2-chlorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 55342591
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(4-bromophenoxy)-N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]pyridine-3-carboxamide
CID 100676572
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
2-[(2R)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 98775740
2-[(2S)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 96534752
[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate
CID 43032849

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 17459336) is 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCC1(C)NC(=O)N(NC(=O)COc2ccc(Br)cc2Br)C1=O.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is HGXSDQKBGLDSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O4/c1-3-14(2)12(21)19(13(22)17-14)18-11(20)7-23-10-5-4-8(15)6-9(10)16/h4-6H,3,7H2,1-2H3,(H,17,22)(H,18,20).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 449.10 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 17459336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).