2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

C20H16ClFN2OS — CID 34425148

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H16ClFN2OS/c21-18-4-1-5-19(22)17(18)11-20(25)24-15-6-8-16(9-7-15)26-13-14-3-2-10-23-12-14/h1-10,12H,11,13H2,(H,24,25)
InChIKeyUWYNTCWAWVSOQO-UHFFFAOYSA-N
MW386.88 g/mol
LogP5.35
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (PubChem CID 34425148) has the molecular formula C20H16ClFN2OS and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
PubChem CID34425148
Molecular FormulaC20H16ClFN2OS
Molecular Weight386.88 g/mol
Exact Mass386.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C20H16ClFN2OS/c21-18-4-1-5-19(22)17(18)11-20(25)24-15-6-8-16(9-7-15)26-13-14-3-2-10-23-12-14/h1-10,12H,11,13H2,(H,24,25)
InChIKeyUWYNTCWAWVSOQO-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide (CID 34425148) is 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is O=C(Cc1c(F)cccc1Cl)Nc1ccc(SCc2cccnc2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
The InChIKey is UWYNTCWAWVSOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2OS/c21-18-4-1-5-19(22)17(18)11-20(25)24-15-6-8-16(9-7-15)26-13-14-3-2-10-23-12-14/h1-10,12H,11,13H2,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide has a molecular weight of 386.88 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 34425148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).