[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate

C14H16BrFN2O5 — CID 8525761

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
SMILESCCCNC(=O)NC(=O)COC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C14H16BrFN2O5/c1-2-5-17-14(21)18-12(19)7-23-13(20)8-22-11-4-3-9(16)6-10(11)15/h3-4,6H,2,5,7-8H2,1H3,(H2,17,18,19,21)
InChIKeyFHSQSJZSNQHPSH-UHFFFAOYSA-N
MW391.19 g/mol
LogP1.75
Rot. Bonds7

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate (PubChem CID 8525761) has the molecular formula C14H16BrFN2O5 and a molecular weight of 391.19 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
PubChem CID8525761
Molecular FormulaC14H16BrFN2O5
Molecular Weight391.19 g/mol
Exact Mass390.02
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate
SMILESCCCNC(=O)NC(=O)COC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C14H16BrFN2O5/c1-2-5-17-14(21)18-12(19)7-23-13(20)8-22-11-4-3-9(16)6-10(11)15/h3-4,6H,2,5,7-8H2,1H3,(H2,17,18,19,21)
InChIKeyFHSQSJZSNQHPSH-UHFFFAOYSA-N
XLogP1.75
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.19
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525806
propyl 2-(2-bromo-4-fluorophenoxy)acetate
CID 78907900
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 34650983
2-(4-bromo-2-fluorophenoxy)-N-(propylcarbamoyl)acetamide
CID 2522978
(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
CID 8733702
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
CID 8553142
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804130
[2-(4-cyanoanilino)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525802
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8846429
[(2S)-1-amino-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525758

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate (CID 8525761) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate is CCCNC(=O)NC(=O)COC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate?
The InChIKey is FHSQSJZSNQHPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O5/c1-2-5-17-14(21)18-12(19)7-23-13(20)8-22-11-4-3-9(16)6-10(11)15/h3-4,6H,2,5,7-8H2,1H3,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate has a molecular weight of 391.19 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-bromo-4-fluorophenoxy)acetate is sourced from PubChem (CID 8525761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).