2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide

C16H15BrFNO4S — CID 42021804

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H15BrFNO4S/c1-2-24(21,22)13-6-4-12(5-7-13)19-16(20)10-23-15-8-3-11(17)9-14(15)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyXIUQSHTVPPQOQL-UHFFFAOYSA-N
MW416.27 g/mol
LogP3.40
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide (PubChem CID 42021804) has the molecular formula C16H15BrFNO4S and a molecular weight of 416.27 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
PubChem CID42021804
Molecular FormulaC16H15BrFNO4S
Molecular Weight416.27 g/mol
Exact Mass414.99
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H15BrFNO4S/c1-2-24(21,22)13-6-4-12(5-7-13)19-16(20)10-23-15-8-3-11(17)9-14(15)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyXIUQSHTVPPQOQL-UHFFFAOYSA-N
XLogP3.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 25443427
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
CID 37238606
2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 43071322
2-(2-amino-4-bromophenoxy)-N-(4-bromophenyl)acetamide
CID 65430170
2-(2-bromo-4-fluorophenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18077210
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide (CID 42021804) is 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2F)cc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is XIUQSHTVPPQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO4S/c1-2-24(21,22)13-6-4-12(5-7-13)19-16(20)10-23-15-8-3-11(17)9-14(15)18/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 416.27 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 42021804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).