2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide

C13H17ClFNO2S — CID 99695759

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
SMILESCSC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2S/c1-13(18,8-19-2)7-16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,18H,6-8H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyJFIQUVZKIOERJO-ZDUSSCGKSA-N
MW305.80 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide (PubChem CID 99695759) has the molecular formula C13H17ClFNO2S and a molecular weight of 305.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
PubChem CID99695759
Molecular FormulaC13H17ClFNO2S
Molecular Weight305.80 g/mol
Exact Mass305.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
SMILESCSC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFNO2S/c1-13(18,8-19-2)7-16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,18H,6-8H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyJFIQUVZKIOERJO-ZDUSSCGKSA-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

Analyze 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]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

N-{2-[(2-chloro-6-fluorobenzyl)thio]ethyl}-3-phenylpropanamide
CID 2210668
2-(2-chloro-6-fluorophenyl)-N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)acetamide
CID 47156886
2-(4-fluorophenyl)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)acetamide
CID 71787178
2-chloro-4-fluoro-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)benzamide
CID 71787187
2-chloro-4-fluoro-N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]benzamide
CID 72009010
2-(2-Chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
CID 72717983
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)acetamide
CID 76147750
3-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-(methylthio)propyl)propanamide
CID 76147803
2-((1-(2-(2-chloro-6-fluorophenyl)acetyl)piperidin-4-yl)sulfonyl)-N-methylacetamide
CID 76148656
2-(2-chloro-6-fluorophenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]acetamide
CID 86265233
N-[(S)-2-hydroxy-3-methoxy-2-methylpropyl](2-chloro-6-fluorophenyl)acetamide
CID 99982776
2-(3-chloro-4-fluorophenyl)-N-(2-sulfanylethyl)acetamide
CID 177680583

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide (CID 99695759) is 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide is CSC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
The InChIKey is JFIQUVZKIOERJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17ClFNO2S/c1-13(18,8-19-2)7-16-12(17)6-9-10(14)4-3-5-11(9)15/h3-5,18H,6-8H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]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-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide is sourced from PubChem (CID 99695759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).