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

C12H13FN2O4 — CID 2511496

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1ccccc1F
InChIInChI=1S/C12H13FN2O4/c1-2-14-12(18)15-10(16)7-19-11(17)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H2,14,15,16,18)
InChIKeyWAXRFUSZAFCOJG-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.83
Rot. Bonds4

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

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2511496) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
PubChem CID2511496
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1ccccc1F
InChIInChI=1S/C12H13FN2O4/c1-2-14-12(18)15-10(16)7-19-11(17)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H2,14,15,16,18)
InChIKeyWAXRFUSZAFCOJG-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-(ethylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540064
[2-(ethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554887
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511316
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621703
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627810
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066702
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564448
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771432
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149238
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-fluorobenzoate
CID 7864310
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate
CID 7805067
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate (CID 2511496) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate is CCNC(=O)NC(=O)COC(=O)c1ccccc1F.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is WAXRFUSZAFCOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-2-14-12(18)15-10(16)7-19-11(17)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H2,14,15,16,18).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-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] 2-fluorobenzoate is sourced from PubChem (CID 2511496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).