2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C13H15ClFNO3S — CID 4791671

IUPAC2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2c(F)cccc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C13H15ClFNO3S/c1-13(5-6-20(18,19)8-13)16-12(17)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H,16,17)
InChIKeyUDHNXESORRXFFO-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4791671) has the molecular formula C13H15ClFNO3S and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID4791671
Molecular FormulaC13H15ClFNO3S
Molecular Weight319.79 g/mol
Exact Mass319.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2c(F)cccc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C13H15ClFNO3S/c1-13(5-6-20(18,19)8-13)16-12(17)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H,16,17)
InChIKeyUDHNXESORRXFFO-UHFFFAOYSA-N
XLogP1.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 4791671) is 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)Cc2c(F)cccc2Cl)CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is UDHNXESORRXFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3S/c1-13(5-6-20(18,19)8-13)16-12(17)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 319.79 g/mol, XLogP of 1.72, 3 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-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4791671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).