2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide

C10H11ClFNOS — CID 848434

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNOS/c1-13-10(14)6-15-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyBWWRNUZOICAPNI-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.46
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide (PubChem CID 848434) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide
PubChem CID848434
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNOS/c1-13-10(14)6-15-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyBWWRNUZOICAPNI-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide 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)methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide (CID 848434) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide is CNC(=O)CSCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide?
The InChIKey is BWWRNUZOICAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNOS/c1-13-10(14)6-15-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide has a molecular weight of 247.72 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 848434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).