methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate

C13H14F3NO4 — CID 62956796

IUPACmethyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO4/c1-20-11(18)7-17(8-12(19)21-2)10-5-3-9(4-6-10)13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyIYSVUZNZZSHWCK-UHFFFAOYSA-N
MW305.25 g/mol
LogP1.86
Rot. Bonds5

About methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate

methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate (PubChem CID 62956796) has the molecular formula C13H14F3NO4 and a molecular weight of 305.25 g/mol. Its IUPAC name is methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
PubChem CID62956796
Molecular FormulaC13H14F3NO4
Molecular Weight305.25 g/mol
Exact Mass305.09
IUPAC Namemethyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO4/c1-20-11(18)7-17(8-12(19)21-2)10-5-3-9(4-6-10)13(14,15)16/h3-6H,7-8H2,1-2H3
InChIKeyIYSVUZNZZSHWCK-UHFFFAOYSA-N
XLogP1.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
CID 62650602
methyl 2-[propan-2-yl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60965401
methyl 2-[N-(4-methylsulfanylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetate
CID 100519172
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 55136889
methyl 2-[4-fluoro-N-(2-oxobut-3-ynyl)anilino]acetate
CID 142217394
methyl 2-[methylsulfamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 122157965
2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 58908238
2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
CID 59772153
methyl 2-[N-[(2R)-1-(benzylamino)-1-oxobutan-2-yl]-4-(trifluoromethyl)anilino]acetate
CID 155654801
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
methyl 9-oxo-9-[4-(trifluoromethyl)anilino]nonanoate
CID 2741082

Frequently Asked Questions

What is the IUPAC name of methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate?
The IUPAC name of methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate (CID 62956796) is methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate.
What is the SMILES notation for methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate?
The canonical SMILES for methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate is COC(=O)CN(CC(=O)OC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate?
The InChIKey is IYSVUZNZZSHWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO4/c1-20-11(18)7-17(8-12(19)21-2)10-5-3-9(4-6-10)13(14,15)16/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate?
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate has a molecular weight of 305.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate is sourced from PubChem (CID 62956796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).