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

C12H13FN2O4 — CID 2627810

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O4/c1-2-14-12(18)15-10(16)7-19-11(17)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H2,14,15,16,18)
InChIKeyMYOPFABXLGBYSU-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.83
Rot. Bonds4

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

[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2627810) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2627810
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O4/c1-2-14-12(18)15-10(16)7-19-11(17)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H2,14,15,16,18)
InChIKeyMYOPFABXLGBYSU-UHFFFAOYSA-N
XLogP0.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-(ethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554887
[2-(carbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627221
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511496
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
CID 27541125
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740040
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 26728415
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540064
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621703

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate (CID 2627810) is [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate is CCNC(=O)NC(=O)COC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is MYOPFABXLGBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-2-14-12(18)15-10(16)7-19-11(17)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3,(H2,14,15,16,18).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 268.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2627810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).