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

C13H16FNO3S — CID 4881388

IUPAC2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2ccccc2F)CCS(=O)(=O)C1
InChIInChI=1S/C13H16FNO3S/c1-13(6-7-19(17,18)9-13)15-12(16)8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyMVIAEKZAYDFDNZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.06
Rot. Bonds3

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

2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4881388) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID4881388
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2ccccc2F)CCS(=O)(=O)C1
InChIInChI=1S/C13H16FNO3S/c1-13(6-7-19(17,18)9-13)15-12(16)8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyMVIAEKZAYDFDNZ-UHFFFAOYSA-N
XLogP1.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 4881388) is 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)Cc2ccccc2F)CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is MVIAEKZAYDFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c1-13(6-7-19(17,18)9-13)15-12(16)8-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 285.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4881388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).