methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate

C16H15F2NO2 — CID 60991906

IUPACmethyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
SMILESCOC(=O)C(Nc1ccc(C)cc1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO2/c1-10-6-8-11(9-7-10)19-15(16(20)21-2)14-12(17)4-3-5-13(14)18/h3-9,15,19H,1-2H3
InChIKeyUOWVGPYIYYXKSX-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.60
Rot. Bonds4

About methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate

methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate (PubChem CID 60991906) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
PubChem CID60991906
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namemethyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
SMILESCOC(=O)C(Nc1ccc(C)cc1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO2/c1-10-6-8-11(9-7-10)19-15(16(20)21-2)14-12(17)4-3-5-13(14)18/h3-9,15,19H,1-2H3
InChIKeyUOWVGPYIYYXKSX-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
methyl 2-(3-chloroanilino)-2-(2,6-difluorophenyl)acetate
CID 60991681
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-(3-chloroanilino)-2-(2-chloro-6-fluorophenyl)acetate
CID 60991814
methyl 2-(4-methylanilino)-2-(4-methylsulfanylphenyl)acetate
CID 60991491
dimethyl 2-(4-methylanilino)propanedioate
CID 13331494
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
CID 60795655
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
methyl (2S)-3-methyl-2-(4-methylanilino)butanoate
CID 11356478
methyl 2-(4-methylanilino)-2-(1,3-thiazol-2-yl)acetate
CID 113373016

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate?
The IUPAC name of methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate (CID 60991906) is methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate.
What is the SMILES notation for methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate?
The canonical SMILES for methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate is COC(=O)C(Nc1ccc(C)cc1)c1c(F)cccc1F.
What is the InChIKey of methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate?
The InChIKey is UOWVGPYIYYXKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10-6-8-11(9-7-10)19-15(16(20)21-2)14-12(17)4-3-5-13(14)18/h3-9,15,19H,1-2H3.
What are the key properties of methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate?
methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate has a molecular weight of 291.30 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate is sourced from PubChem (CID 60991906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).