[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate

C11H11FN2O4 — CID 2627763

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O4/c1-13-11(17)14-9(15)6-18-10(16)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,17)
InChIKeyRKYFHYXEJXQZEB-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.44
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2627763) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2627763
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O4/c1-13-11(17)14-9(15)6-18-10(16)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,17)
InChIKeyRKYFHYXEJXQZEB-UHFFFAOYSA-N
XLogP0.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627810
[2-(methylcarbamoylamino)-2-oxoethyl] 4-bromobenzoate
CID 2625657
[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627221
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791448
[2-(methylcarbamoylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 40704389
[2-(methylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507436
[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 30344335
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2628770
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824461
[2-(methylcarbamoylamino)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 7734953

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate (CID 2627763) is [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate is CNC(=O)NC(=O)COC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is RKYFHYXEJXQZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c1-13-11(17)14-9(15)6-18-10(16)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,17).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 254.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2627763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).