2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide

C15H8F6N2O2S — CID 23034853

IUPAC2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)F)cc1F
InChIInChI=1S/C15H8F6N2O2S/c16-8-2-1-3-9(17)12(8)13(24)23-14(25)22-11-5-4-7(6-10(11)18)26-15(19,20)21/h1-6H,(H2,22,23,24,25)
InChIKeyLIKJWRVCZXAYBZ-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.68
Rot. Bonds3

About 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide (PubChem CID 23034853) has the molecular formula C15H8F6N2O2S and a molecular weight of 394.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
PubChem CID23034853
Molecular FormulaC15H8F6N2O2S
Molecular Weight394.30 g/mol
Exact Mass394.02
IUPAC Name2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)F)cc1F
InChIInChI=1S/C15H8F6N2O2S/c16-8-2-1-3-9(17)12(8)13(24)23-14(25)22-11-5-4-7(6-10(11)18)26-15(19,20)21/h1-6H,(H2,22,23,24,25)
InChIKeyLIKJWRVCZXAYBZ-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034891
2,6-difluoro-N-[[2-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034816
2,6-difluoro-N-[(2-fluoro-4-prop-2-ynylsulfanylphenyl)carbamoyl]benzamide
CID 87813330
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
2,6-difluoro-N-[[2,3,5,6-tetrafluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034886
2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
CID 14823060
N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 18793633
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
CID 69401733
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoylcarbamoyl]-2,6-difluorobenzamide
CID 19873185
2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide (CID 23034853) is 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(SC(F)(F)F)cc1F.
What is the InChIKey of 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The InChIKey is LIKJWRVCZXAYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O2S/c16-8-2-1-3-9(17)12(8)13(24)23-14(25)22-11-5-4-7(6-10(11)18)26-15(19,20)21/h1-6H,(H2,22,23,24,25).
What are the key properties of 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide has a molecular weight of 394.30 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 23034853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).