ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate

C14H12ClFN2O5 — CID 2767597

IUPACethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(Cc2c(F)cccc2Cl)C1=O
InChIInChI=1S/C14H12ClFN2O5/c1-2-23-11(19)7-18-13(21)12(20)17(14(18)22)6-8-9(15)4-3-5-10(8)16/h3-5H,2,6-7H2,1H3
InChIKeyIRPPKFFZNZFWPP-UHFFFAOYSA-N
MW342.71 g/mol
LogP1.33
Rot. Bonds5

About ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate

ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate (PubChem CID 2767597) has the molecular formula C14H12ClFN2O5 and a molecular weight of 342.71 g/mol. Its IUPAC name is ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
PubChem CID2767597
Molecular FormulaC14H12ClFN2O5
Molecular Weight342.71 g/mol
Exact Mass342.04
IUPAC Nameethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(=O)N(Cc2c(F)cccc2Cl)C1=O
InChIInChI=1S/C14H12ClFN2O5/c1-2-23-11(19)7-18-13(21)12(20)17(14(18)22)6-8-9(15)4-3-5-10(8)16/h3-5H,2,6-7H2,1H3
InChIKeyIRPPKFFZNZFWPP-UHFFFAOYSA-N
XLogP1.33
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-6-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 954150
ethyl 4-(2-chloro-6-fluorophenyl)-2-ethyl-3-oxobutanoate
CID 63022493
(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792377
(2-chloro-6-fluorophenyl)methyl 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906828
ethyl 2-[(2-chloro-6-fluorophenyl)methyl]-6-methyl-3-oxopyridazine-4-carboxylate
CID 100785113
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
ethyl 3-[1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanoate
CID 69315121
ethyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 15096135
ethyl 2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 15096137
ethyl 2-[(2,6-dichlorophenyl)methylsulfanyl]acetate
CID 3462065
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 55311224

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate (CID 2767597) is ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)C(=O)N(Cc2c(F)cccc2Cl)C1=O.
What is the InChIKey of ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate?
The InChIKey is IRPPKFFZNZFWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O5/c1-2-23-11(19)7-18-13(21)12(20)17(14(18)22)6-8-9(15)4-3-5-10(8)16/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate?
ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate has a molecular weight of 342.71 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-chloro-6-fluorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 2767597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).