[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate

C14H16ClFN2O4 — CID 2415722

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O4/c1-8(2)17-14(21)18-12(19)7-22-13(20)6-9-10(15)4-3-5-11(9)16/h3-5,8H,6-7H2,1-2H3,(H2,17,18,19,21)
InChIKeyZXVJGTYASCZMFZ-UHFFFAOYSA-N
MW330.74 g/mol
LogP1.80
Rot. Bonds5

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2415722) has the molecular formula C14H16ClFN2O4 and a molecular weight of 330.74 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2415722
Molecular FormulaC14H16ClFN2O4
Molecular Weight330.74 g/mol
Exact Mass330.08
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC(C)NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O4/c1-8(2)17-14(21)18-12(19)7-22-13(20)6-9-10(15)4-3-5-11(9)16/h3-5,8H,6-7H2,1-2H3,(H2,17,18,19,21)
InChIKeyZXVJGTYASCZMFZ-UHFFFAOYSA-N
XLogP1.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 51.80
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-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 2508439
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2547991
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759008
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2379638
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544598
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 3511518
[2-(2-Methoxyethylcarbamoylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 2532949
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 3496159
ethyl 6-[[2-(2-chloro-6-fluorophenyl)acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25163846

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2415722) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate is CC(C)NC(=O)NC(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is ZXVJGTYASCZMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O4/c1-8(2)17-14(21)18-12(19)7-22-13(20)6-9-10(15)4-3-5-11(9)16/h3-5,8H,6-7H2,1-2H3,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 330.74 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2415722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).