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

C12H13ClFNO3S — CID 18109658

IUPAC2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H13ClFNO3S/c13-10-2-1-3-11(14)9(10)6-12(16)15-8-4-5-19(17,18)7-8/h1-3,8H,4-7H2,(H,15,16)
InChIKeyHFMUTMPUNUULML-UHFFFAOYSA-N
MW305.76 g/mol
LogP1.32
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 18109658) has the molecular formula C12H13ClFNO3S and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID18109658
Molecular FormulaC12H13ClFNO3S
Molecular Weight305.76 g/mol
Exact Mass305.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H13ClFNO3S/c13-10-2-1-3-11(14)9(10)6-12(16)15-8-4-5-19(17,18)7-8/h1-3,8H,4-7H2,(H,15,16)
InChIKeyHFMUTMPUNUULML-UHFFFAOYSA-N
XLogP1.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 51.32
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)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 18109658) is 2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(Cc1c(F)cccc1Cl)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is HFMUTMPUNUULML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3S/c13-10-2-1-3-11(14)9(10)6-12(16)15-8-4-5-19(17,18)7-8/h1-3,8H,4-7H2,(H,15,16).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 305.76 g/mol, XLogP of 1.32, 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-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 18109658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).