2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide

C17H17ClFNO2S — CID 46440609

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(C)NC(=O)COc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2S/c1-11(12-3-6-14(23-2)7-4-12)20-17(21)10-22-16-8-5-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyUATCYCUEMGTREX-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.46
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 46440609) has the molecular formula C17H17ClFNO2S and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID46440609
Molecular FormulaC17H17ClFNO2S
Molecular Weight353.85 g/mol
Exact Mass353.07
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(C)NC(=O)COc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2S/c1-11(12-3-6-14(23-2)7-4-12)20-17(21)10-22-16-8-5-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyUATCYCUEMGTREX-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43873738
2-(2-chloro-4-fluorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103801304
2-(2-chloro-4-fluorophenoxy)-N-(2-methylpropoxy)acetamide
CID 115410094
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906437
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide
CID 87000643
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402252
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
2-(2-chloro-4-cyanophenoxy)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8977218

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide (CID 46440609) is 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(C(C)NC(=O)COc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is UATCYCUEMGTREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2S/c1-11(12-3-6-14(23-2)7-4-12)20-17(21)10-22-16-8-5-13(19)9-15(16)18/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 353.85 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 46440609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).