1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C14H13BrN2O4 — CID 7976070

IUPAC1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(CC(=O)c2cccc(Br)c2)C1=O
InChIInChI=1S/C14H13BrN2O4/c1-8(2)17-13(20)12(19)16(14(17)21)7-11(18)9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3
InChIKeyGETFSIZHDNPYDV-UHFFFAOYSA-N
MW353.17 g/mol
LogP1.83
Rot. Bonds4

About 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 7976070) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID7976070
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCC(C)N1C(=O)C(=O)N(CC(=O)c2cccc(Br)c2)C1=O
InChIInChI=1S/C14H13BrN2O4/c1-8(2)17-13(20)12(19)16(14(17)21)7-11(18)9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3
InChIKeyGETFSIZHDNPYDV-UHFFFAOYSA-N
XLogP1.83
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 51.83
H-Bond Donors ≤ 50
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

1-[2-(4-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7976022
N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide
CID 9397620
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
3-amino-1-(3-bromophenyl)butan-1-one
CID 81462573
1-[2-(3-bromophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018803
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 60623692
1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219776
1-(3-bromophenyl)butan-1-one
CID 18417701
N-(2-ethyl-6-methylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975795
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7242493

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 7976070) is 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione is CC(C)N1C(=O)C(=O)N(CC(=O)c2cccc(Br)c2)C1=O.
What is the InChIKey of 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is GETFSIZHDNPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-8(2)17-13(20)12(19)16(14(17)21)7-11(18)9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 353.17 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)-2-oxoethyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 7976070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).