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

C15H18ClFN2O4 — CID 2379638

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H18ClFN2O4/c1-15(2,3)19-14(22)18-12(20)8-23-13(21)7-9-10(16)5-4-6-11(9)17/h4-6H,7-8H2,1-3H3,(H2,18,19,20,22)
InChIKeyMJOJPTSZJDEDMU-UHFFFAOYSA-N
MW344.77 g/mol
LogP2.19
Rot. Bonds4

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

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2379638) has the molecular formula C15H18ClFN2O4 and a molecular weight of 344.77 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2379638
Molecular FormulaC15H18ClFN2O4
Molecular Weight344.77 g/mol
Exact Mass344.09
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H18ClFN2O4/c1-15(2,3)19-14(22)18-12(20)8-23-13(21)7-9-10(16)5-4-6-11(9)17/h4-6H,7-8H2,1-3H3,(H2,18,19,20,22)
InChIKeyMJOJPTSZJDEDMU-UHFFFAOYSA-N
XLogP2.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2079524
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2091291
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2415722
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2508439
1-[(1-Cyanocyclohexyl)carbamoyl]ethyl 2-(2-chloro-6-fluorophenyl)acetate
CID 24980429
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-phenylbutanoate
CID 4331018
[2-(Tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2416174
[2-(Tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2416308
[2-(Tert-butylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2089806
(2-Amino-2-oxoethyl) 2-(2-chloro-6-fluorophenyl)acetate
CID 2427969
[2-(2-Methoxyethylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 4795763
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2536266

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2379638) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is MJOJPTSZJDEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O4/c1-15(2,3)19-14(22)18-12(20)8-23-13(21)7-9-10(16)5-4-6-11(9)17/h4-6H,7-8H2,1-3H3,(H2,18,19,20,22).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 344.77 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2379638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).