2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

C13H17ClFNO2S — CID 103798911

IUPAC2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2S/c1-8(12(7-17)19-2)16-13(18)6-9-10(14)4-3-5-11(9)15/h3-5,8,12,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyDJXGEIZUGGQASQ-UHFFFAOYSA-N
MW305.80 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 103798911) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID103798911
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2S/c1-8(12(7-17)19-2)16-13(18)6-9-10(14)4-3-5-11(9)15/h3-5,8,12,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyDJXGEIZUGGQASQ-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 52.25
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-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 103798911) is 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CSC(CO)C(C)NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is DJXGEIZUGGQASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c1-8(12(7-17)19-2)16-13(18)6-9-10(14)4-3-5-11(9)15/h3-5,8,12,17H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 305.80 g/mol, XLogP of 2.25, 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-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 103798911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).