N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide

C10H11BrFNOS — CID 130562660

IUPACN-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(C)c(Br)cc1F
InChIInChI=1S/C10H11BrFNOS/c1-6-3-9(8(12)4-7(6)11)13-10(14)5-15-2/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyCSWOBSJJAZMUHZ-UHFFFAOYSA-N
MW292.17 g/mol
LogP3.20
Rot. Bonds3

About N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide

N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide (PubChem CID 130562660) has the molecular formula C10H11BrFNOS and a molecular weight of 292.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide
PubChem CID130562660
Molecular FormulaC10H11BrFNOS
Molecular Weight292.17 g/mol
Exact Mass290.97
IUPAC NameN-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1cc(C)c(Br)cc1F
InChIInChI=1S/C10H11BrFNOS/c1-6-3-9(8(12)4-7(6)11)13-10(14)5-15-2/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyCSWOBSJJAZMUHZ-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990
4,5-difluoro-2-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 62865365
N-(4-bromo-2-fluoro-5-methylphenyl)ethanesulfinamide
CID 130935073
N-(4-bromo-2-fluoro-5-methylphenyl)-1H-imidazole-5-carboxamide
CID 175572730
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790
(4-bromo-2-fluoro-5-methylphenyl)hydrazine
CID 68557419
N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 107611744
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
N-(2-amino-6-bromo-4-methylphenyl)-2-methylsulfanylacetamide
CID 116813465
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-1-methylpyrazol-3-yl)-2-methylsulfanylacetamide
CID 130615823
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide (CID 130562660) is N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1cc(C)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide?
The InChIKey is CSWOBSJJAZMUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNOS/c1-6-3-9(8(12)4-7(6)11)13-10(14)5-15-2/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide?
N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide has a molecular weight of 292.17 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluoro-5-methylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 130562660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).