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

C13H15ClFNO3S — CID 47156886

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C13H15ClFNO3S/c14-11-2-1-3-12(15)10(11)6-13(17)16-7-9-4-5-20(18,19)8-9/h1-3,9H,4-8H2,(H,16,17)
InChIKeyHAVYOBQNCDCCNQ-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.57
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide (PubChem CID 47156886) has the molecular formula C13H15ClFNO3S and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
PubChem CID47156886
Molecular FormulaC13H15ClFNO3S
Molecular Weight319.79 g/mol
Exact Mass319.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C13H15ClFNO3S/c14-11-2-1-3-12(15)10(11)6-13(17)16-7-9-4-5-20(18,19)8-9/h1-3,9H,4-8H2,(H,16,17)
InChIKeyHAVYOBQNCDCCNQ-UHFFFAOYSA-N
XLogP1.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.57
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-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide (CID 47156886) is 2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
The InChIKey is HAVYOBQNCDCCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO3S/c14-11-2-1-3-12(15)10(11)6-13(17)16-7-9-4-5-20(18,19)8-9/h1-3,9H,4-8H2,(H,16,17).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide has a molecular weight of 319.79 g/mol, XLogP of 1.57, 4 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-[(1,1-dioxothiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 47156886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).