2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide

C15H13BrFNO4S — CID 9354027

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H13BrFNO4S/c1-23(20,21)12-4-2-3-11(8-12)18-15(19)9-22-14-6-5-10(17)7-13(14)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyTXSHDOQGRNZTOF-UHFFFAOYSA-N
MW402.24 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide

2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 9354027) has the molecular formula C15H13BrFNO4S and a molecular weight of 402.24 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
PubChem CID9354027
Molecular FormulaC15H13BrFNO4S
Molecular Weight402.24 g/mol
Exact Mass400.97
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H13BrFNO4S/c1-23(20,21)12-4-2-3-11(8-12)18-15(19)9-22-14-6-5-10(17)7-13(14)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyTXSHDOQGRNZTOF-UHFFFAOYSA-N
XLogP3.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4797677
2-(2-bromo-4-fluorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18077210
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
N-(3-methylsulfonylphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 9071755
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
methyl 3-bromo-4-[2-(3-fluoroanilino)-2-oxoethoxy]benzoate
CID 36533330
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
2-(2-bromo-4-fluorophenoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 7478739
dimethyl 5-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2627534
methyl 3-bromo-4-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethoxy]benzoate
CID 36531767
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide (CID 9354027) is 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1cccc(NC(=O)COc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is TXSHDOQGRNZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO4S/c1-23(20,21)12-4-2-3-11(8-12)18-15(19)9-22-14-6-5-10(17)7-13(14)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide?
2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 402.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 9354027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).