methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate

C11H9F4NO3 — CID 79885001

IUPACmethyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H9F4NO3/c1-19-8(17)5-16-10(18)6-3-2-4-7(9(6)12)11(13,14)15/h2-4H,5H2,1H3,(H,16,18)
InChIKeyXLLZRKGADQZSSJ-UHFFFAOYSA-N
MW279.19 g/mol
LogP1.75
Rot. Bonds3

About methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate

methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate (PubChem CID 79885001) has the molecular formula C11H9F4NO3 and a molecular weight of 279.19 g/mol. Its IUPAC name is methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
PubChem CID79885001
Molecular FormulaC11H9F4NO3
Molecular Weight279.19 g/mol
Exact Mass279.05
IUPAC Namemethyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H9F4NO3/c1-19-8(17)5-16-10(18)6-3-2-4-7(9(6)12)11(13,14)15/h2-4H,5H2,1H3,(H,16,18)
InChIKeyXLLZRKGADQZSSJ-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681898
methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]-methylamino]propanoate
CID 71683330
N-[2-(carbamoylamino)ethyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885734
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
2-fluoro-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 120831181
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 106142634
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906
2-fluoro-N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82723802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate (CID 79885001) is methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate?
The InChIKey is XLLZRKGADQZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO3/c1-19-8(17)5-16-10(18)6-3-2-4-7(9(6)12)11(13,14)15/h2-4H,5H2,1H3,(H,16,18).
What are the key properties of methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate?
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate has a molecular weight of 279.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate is sourced from PubChem (CID 79885001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).