[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate

C12H11F3N2O4 — CID 2503502

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O4/c1-16-11(20)17-9(18)6-21-10(19)7-4-2-3-5-8(7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,20)
InChIKeyOUNUWKNGRNMLOZ-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.32
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate (PubChem CID 2503502) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
PubChem CID2503502
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O4/c1-16-11(20)17-9(18)6-21-10(19)7-4-2-3-5-8(7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,20)
InChIKeyOUNUWKNGRNMLOZ-UHFFFAOYSA-N
XLogP1.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509553
[2-[[(1S,2R)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838244
[2-(methylcarbamoylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7724769
[2-(methylcarbamoylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4833186
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 9009426
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612
methyl 2-(trifluoromethyl)benzoate
CID 2775578
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511316
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838158
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859795
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-(trifluoromethyl)benzoate
CID 7838156
[2-(methylcarbamoylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 40704389

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate (CID 2503502) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate is CNC(=O)NC(=O)COC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The InChIKey is OUNUWKNGRNMLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4/c1-16-11(20)17-9(18)6-21-10(19)7-4-2-3-5-8(7)12(13,14)15/h2-5H,6H2,1H3,(H2,16,17,18,20).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate has a molecular weight of 304.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 2503502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).