2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

C17H17ClFNO2S — CID 71803843

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(O)CNC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2S/c1-23-12-7-5-11(6-8-12)16(21)10-20-17(22)9-13-14(18)3-2-4-15(13)19/h2-8,16,21H,9-10H2,1H3,(H,20,22)
InChIKeyUTEAILROFPIUFU-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.59
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (PubChem CID 71803843) has the molecular formula C17H17ClFNO2S and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
PubChem CID71803843
Molecular FormulaC17H17ClFNO2S
Molecular Weight353.85 g/mol
Exact Mass353.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
SMILESCSc1ccc(C(O)CNC(=O)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C17H17ClFNO2S/c1-23-12-7-5-11(6-8-12)16(21)10-20-17(22)9-13-14(18)3-2-4-15(13)19/h2-8,16,21H,9-10H2,1H3,(H,20,22)
InChIKeyUTEAILROFPIUFU-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide (CID 71803843) is 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is CSc1ccc(C(O)CNC(=O)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
The InChIKey is UTEAILROFPIUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2S/c1-23-12-7-5-11(6-8-12)16(21)10-20-17(22)9-13-14(18)3-2-4-15(13)19/h2-8,16,21H,9-10H2,1H3,(H,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide has a molecular weight of 353.85 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 71803843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).