2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide

C12H15BrFNOS — CID 115636187

IUPAC2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNOS/c1-8(5-6-17-2)15-12(16)10-7-9(14)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyIWYUOIQDAZGXII-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.46
Rot. Bonds5

About 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide

2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide (PubChem CID 115636187) has the molecular formula C12H15BrFNOS and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
PubChem CID115636187
Molecular FormulaC12H15BrFNOS
Molecular Weight320.23 g/mol
Exact Mass319.00
IUPAC Name2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNOS/c1-8(5-6-17-2)15-12(16)10-7-9(14)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyIWYUOIQDAZGXII-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 75378516
2,5-difluoro-N-(4-methylsulfanylbutan-2-yl)-3-nitrobenzamide
CID 107122292
N-(5-bromopentan-2-yl)-2,5-difluorobenzamide
CID 114316646
5-[(2-bromo-4-fluorobenzoyl)amino]hexanoic acid
CID 82854455
(2S)-2-[(2-bromo-5-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 61173591
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
N-(4-bromobutan-2-yl)-2,5-difluorobenzamide
CID 83180348
(2S)-2-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 107821847
6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65285579
2-[(5-fluoro-2-hydroxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 115298397
4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636139
2-bromo-N-[(2R)-1-(2,4-difluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 41071797

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide (CID 115636187) is 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide is CSCCC(C)NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is IWYUOIQDAZGXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNOS/c1-8(5-6-17-2)15-12(16)10-7-9(14)3-4-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide?
2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 320.23 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 115636187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).