methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate

C12H10BrFN2O4 — CID 171619386

IUPACmethyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate
SMILESCOC(=O)C(c1ccc(Br)c(F)c1)N1C(=O)CNC1=O
InChIInChI=1S/C12H10BrFN2O4/c1-20-11(18)10(16-9(17)5-15-12(16)19)6-2-3-7(13)8(14)4-6/h2-4,10H,5H2,1H3,(H,15,19)
InChIKeyZPPUILXYKYVXRB-UHFFFAOYSA-N
MW345.12 g/mol
LogP1.35
Rot. Bonds3

About methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate

methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 171619386) has the molecular formula C12H10BrFN2O4 and a molecular weight of 345.12 g/mol. Its IUPAC name is methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID171619386
Molecular FormulaC12H10BrFN2O4
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Namemethyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate
SMILESCOC(=O)C(c1ccc(Br)c(F)c1)N1C(=O)CNC1=O
InChIInChI=1S/C12H10BrFN2O4/c1-20-11(18)10(16-9(17)5-15-12(16)19)6-2-3-7(13)8(14)4-6/h2-4,10H,5H2,1H3,(H,15,19)
InChIKeyZPPUILXYKYVXRB-UHFFFAOYSA-N
XLogP1.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate (CID 171619386) is methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate is COC(=O)C(c1ccc(Br)c(F)c1)N1C(=O)CNC1=O.
What is the InChIKey of methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is ZPPUILXYKYVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O4/c1-20-11(18)10(16-9(17)5-15-12(16)19)6-2-3-7(13)8(14)4-6/h2-4,10H,5H2,1H3,(H,15,19).
What are the key properties of methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate?
methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 345.12 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-3-fluorophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 171619386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).