2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide

C15H12Cl2FNO4S — CID 7432976

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12Cl2FNO4S/c1-24(21,22)10-3-4-11(16)14(7-10)19-15(20)8-23-9-2-5-13(18)12(17)6-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZOTHXERVBYMUEL-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide (PubChem CID 7432976) has the molecular formula C15H12Cl2FNO4S and a molecular weight of 392.24 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
PubChem CID7432976
Molecular FormulaC15H12Cl2FNO4S
Molecular Weight392.24 g/mol
Exact Mass390.98
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12Cl2FNO4S/c1-24(21,22)10-3-4-11(16)14(7-10)19-15(20)8-23-9-2-5-13(18)12(17)6-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyZOTHXERVBYMUEL-UHFFFAOYSA-N
XLogP3.55
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 33006391
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850
N-(2-chloro-5-methylsulfonylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950284
N-(5-chloro-2-methylphenyl)-2-(4-methylsulfonylphenoxy)acetamide
CID 78790672
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503052
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide (CID 7432976) is 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
The InChIKey is ZOTHXERVBYMUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO4S/c1-24(21,22)10-3-4-11(16)14(7-10)19-15(20)8-23-9-2-5-13(18)12(17)6-9/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide has a molecular weight of 392.24 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 7432976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).