4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide

C12H14BrF2NOS — CID 75378516

IUPAC4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)NC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H14BrF2NOS/c1-7(3-4-18-2)16-12(17)11-9(14)5-8(13)6-10(11)15/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyQJIKIPYCYYFGHW-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.60
Rot. Bonds5

About 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide

4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide (PubChem CID 75378516) has the molecular formula C12H14BrF2NOS and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
PubChem CID75378516
Molecular FormulaC12H14BrF2NOS
Molecular Weight338.22 g/mol
Exact Mass336.99
IUPAC Name4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)NC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C12H14BrF2NOS/c1-7(3-4-18-2)16-12(17)11-9(14)5-8(13)6-10(11)15/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyQJIKIPYCYYFGHW-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-bromo-2,6-difluorobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104906141
4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide
CID 114310689
4-bromo-N-(5-bromopentan-2-yl)-2,6-difluorobenzamide
CID 113276091
4-bromo-N-(1-ethylsulfanylpropan-2-yl)-2,6-difluorobenzamide
CID 115686786
4-bromo-2,6-difluoro-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 115687743
3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 114011389
4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636139
2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636187
4-bromo-N-but-3-yn-2-yl-2,6-difluorobenzamide
CID 114389970
4-bromo-N-(1-chloropentan-3-yl)-2,6-difluorobenzamide
CID 113496332
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2,6-difluorobenzamide
CID 106356219
4,5-difluoro-N-(4-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 115636184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide (CID 75378516) is 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide is CSCCC(C)NC(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is QJIKIPYCYYFGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NOS/c1-7(3-4-18-2)16-12(17)11-9(14)5-8(13)6-10(11)15/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide?
4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 338.22 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 75378516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).