[2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C14H17ClFNO3 — CID 2089806

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC(C)(C)NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO3/c1-14(2,3)17-12(18)8-20-13(19)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyPSJRIOCJZODUGW-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.48
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2089806) has the molecular formula C14H17ClFNO3 and a molecular weight of 301.74 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2089806
Molecular FormulaC14H17ClFNO3
Molecular Weight301.74 g/mol
Exact Mass301.09
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC(C)(C)NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFNO3/c1-14(2,3)17-12(18)8-20-13(19)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyPSJRIOCJZODUGW-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2089806) is [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is CC(C)(C)NC(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is PSJRIOCJZODUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO3/c1-14(2,3)17-12(18)8-20-13(19)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H,17,18).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 301.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2089806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).