[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C16H17BrN2O5 — CID 7794129

IUPAC[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C16H17BrN2O5/c1-3-16(2)14(22)19(15(23)18-16)8-13(21)24-9-12(20)10-4-6-11(17)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyDCFDNDVXWFNIOU-MRXNPFEDSA-N
MW397.23 g/mol
LogP1.90
Rot. Bonds6

About [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7794129) has the molecular formula C16H17BrN2O5 and a molecular weight of 397.23 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7794129
Molecular FormulaC16H17BrN2O5
Molecular Weight397.23 g/mol
Exact Mass396.03
IUPAC Name[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(Br)cc2)C1=O
InChIInChI=1S/C16H17BrN2O5/c1-3-16(2)14(22)19(15(23)18-16)8-13(21)24-9-12(20)10-4-6-11(17)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,18,23)/t16-/m1/s1
InChIKeyDCFDNDVXWFNIOU-MRXNPFEDSA-N
XLogP1.90
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793739
[2-(4-ethylphenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793448
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9456906
[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 41170271
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7794140
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793452
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485844
(4-bromo-2-fluorophenyl)methyl 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793439
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793696
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 40633110
ethyl 4-[[2-[2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]oxyacetyl]amino]benzoate
CID 7794040
3-[2-(4-chlorophenyl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 60623068

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 7794129) is [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2ccc(Br)cc2)C1=O.
What is the InChIKey of [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is DCFDNDVXWFNIOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17BrN2O5/c1-3-16(2)14(22)19(15(23)18-16)8-13(21)24-9-12(20)10-4-6-11(17)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,18,23)/t16-/m1/s1.
What are the key properties of [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 397.23 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7794129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).