2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C18H19ClFNO3S — CID 55550952

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFNO3S/c1-12(13-7-9-14(10-8-13)25(3,23)24)21(2)18(22)11-15-16(19)5-4-6-17(15)20/h4-10,12H,11H2,1-3H3
InChIKeyCWYRNRQDIHACAS-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.64
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 55550952) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID55550952
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19ClFNO3S/c1-12(13-7-9-14(10-8-13)25(3,23)24)21(2)18(22)11-15-16(19)5-4-6-17(15)20/h4-10,12H,11H2,1-3H3
InChIKeyCWYRNRQDIHACAS-UHFFFAOYSA-N
XLogP3.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 55550952) is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is CWYRNRQDIHACAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c1-12(13-7-9-14(10-8-13)25(3,23)24)21(2)18(22)11-15-16(19)5-4-6-17(15)20/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 383.87 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 55550952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).