[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate

C14H17FN2O4 — CID 7796300

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
SMILESCCCNC(=O)NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C14H17FN2O4/c1-2-7-16-14(20)17-12(18)9-21-13(19)8-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H2,16,17,18,20)
InChIKeyLUKLPGHRRQJSIQ-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.15
Rot. Bonds6

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate (PubChem CID 7796300) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
PubChem CID7796300
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
SMILESCCCNC(=O)NC(=O)COC(=O)Cc1ccccc1F
InChIInChI=1S/C14H17FN2O4/c1-2-7-16-14(20)17-12(18)9-21-13(19)8-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H2,16,17,18,20)
InChIKeyLUKLPGHRRQJSIQ-UHFFFAOYSA-N
XLogP1.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544607
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544539
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615975
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
CID 8553142
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate
CID 2565803
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511496
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525761
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2,4-dimethoxyphenyl)acetate
CID 8666148
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate (CID 7796300) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate is CCCNC(=O)NC(=O)COC(=O)Cc1ccccc1F.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is LUKLPGHRRQJSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-7-16-14(20)17-12(18)9-21-13(19)8-10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 296.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 7796300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).