N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide

C12H14FNO3S — CID 16799579

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H14FNO3S/c13-10-3-1-9(2-4-10)7-12(15)14-11-5-6-18(16,17)8-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyBVPRNAUFEVMXLO-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.67
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 16799579) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide
PubChem CID16799579
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H14FNO3S/c13-10-3-1-9(2-4-10)7-12(15)14-11-5-6-18(16,17)8-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyBVPRNAUFEVMXLO-UHFFFAOYSA-N
XLogP0.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide (CID 16799579) is N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is BVPRNAUFEVMXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-10-3-1-9(2-4-10)7-12(15)14-11-5-6-18(16,17)8-11/h1-4,11H,5-8H2,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 271.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16799579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).