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

C12H14FNO3S — CID 51240347

IUPACN-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H14FNO3S/c13-10-3-1-2-9(6-10)7-12(15)14-11-4-5-18(16,17)8-11/h1-3,6,11H,4-5,7-8H2,(H,14,15)
InChIKeyXLLKGKBZAQCHRL-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.67
Rot. Bonds3

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

N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide (PubChem CID 51240347) 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-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
PubChem CID51240347
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H14FNO3S/c13-10-3-1-2-9(6-10)7-12(15)14-11-4-5-18(16,17)8-11/h1-3,6,11H,4-5,7-8H2,(H,14,15)
InChIKeyXLLKGKBZAQCHRL-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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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 94017685
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 7834521
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(3-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 124999884
N-(1,1-dioxothian-3-yl)-2-(3-hydroxyphenyl)acetamide
CID 63921976
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 110664939
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 124970015
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
N-(1,1-dioxothiolan-3-yl)-3-[[ethylamino-[(3-fluorophenyl)methyl-methylamino]methylidene]amino]propanamide;hydroiodide
CID 111285600
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 6213301

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide (CID 51240347) is N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide?
The InChIKey is XLLKGKBZAQCHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-10-3-1-2-9(6-10)7-12(15)14-11-4-5-18(16,17)8-11/h1-3,6,11H,4-5,7-8H2,(H,14,15).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(3-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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 51240347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).