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2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C18H19ClFNOS — CID 55583750

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(SCC(=O)N(C)Cc1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C18H19ClFNOS/c1-13(15-8-4-5-9-16(15)19)23-12-18(22)21(2)11-14-7-3-6-10-17(14)20/h3-10,13H,11-12H2,1-2H3
InChIKeyHQIPOOOFMKHVNM-UHFFFAOYSA-N
MW351.87 g/mol
LogP4.93
Rot. Bonds6

About 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 55583750) has the molecular formula C18H19ClFNOS and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID55583750
Molecular FormulaC18H19ClFNOS
Molecular Weight351.87 g/mol
Exact Mass351.09
IUPAC Name2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(SCC(=O)N(C)Cc1ccccc1F)c1ccccc1Cl
InChIInChI=1S/C18H19ClFNOS/c1-13(15-8-4-5-9-16(15)19)23-12-18(22)21(2)11-14-7-3-6-10-17(14)20/h3-10,13H,11-12H2,1-2H3
InChIKeyHQIPOOOFMKHVNM-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 55583750) is 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CC(SCC(=O)N(C)Cc1ccccc1F)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is HQIPOOOFMKHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNOS/c1-13(15-8-4-5-9-16(15)19)23-12-18(22)21(2)11-14-7-3-6-10-17(14)20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 351.87 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylsulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55583750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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