2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide

C17H13F5N2O2S — CID 68936278

IUPAC2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
SMILESCN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1ccccc1SC(F)(F)F
InChIInChI=1S/C17H13F5N2O2S/c1-23(12-8-3-4-9-13(12)27-17(20,21)22)16(26)24(2)15(25)14-10(18)6-5-7-11(14)19/h3-9H,1-2H3
InChIKeyJSAJUEVXYCVENE-UHFFFAOYSA-N
MW404.36 g/mol
LogP4.91
Rot. Bonds3

About 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide

2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide (PubChem CID 68936278) has the molecular formula C17H13F5N2O2S and a molecular weight of 404.36 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
PubChem CID68936278
Molecular FormulaC17H13F5N2O2S
Molecular Weight404.36 g/mol
Exact Mass404.06
IUPAC Name2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
SMILESCN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1ccccc1SC(F)(F)F
InChIInChI=1S/C17H13F5N2O2S/c1-23(12-8-3-4-9-13(12)27-17(20,21)22)16(26)24(2)15(25)14-10(18)6-5-7-11(14)19/h3-9H,1-2H3
InChIKeyJSAJUEVXYCVENE-UHFFFAOYSA-N
XLogP4.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichloro-2,4-difluorophenyl)-methylcarbamoyl]-2,6-difluoro-N-methylbenzamide
CID 14879197
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
2-chloro-6-fluoro-N-[(2-fluoro-4-methylthiophen-3-yl)-methylcarbamoyl]-N-methylbenzamide
CID 68935799
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833
N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide
CID 78860224
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 43427741
2-fluoro-6-[methyl(3,3,3-trifluoropropyl)amino]benzoic acid
CID 79512136

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide (CID 68936278) is 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide is CN(C(=O)c1c(F)cccc1F)C(=O)N(C)c1ccccc1SC(F)(F)F.
What is the InChIKey of 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The InChIKey is JSAJUEVXYCVENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2S/c1-23(12-8-3-4-9-13(12)27-17(20,21)22)16(26)24(2)15(25)14-10(18)6-5-7-11(14)19/h3-9H,1-2H3.
What are the key properties of 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide has a molecular weight of 404.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-[methyl-[2-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 68936278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).