2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide

C14H17ClFNO2S — CID 72717983

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)Cc2c(F)cccc2Cl)CCSC1
InChIInChI=1S/C14H17ClFNO2S/c1-19-14(5-6-20-9-14)8-17-13(18)7-10-11(15)3-2-4-12(10)16/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyAFHFZOIYNUBAGS-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.66
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide (PubChem CID 72717983) has the molecular formula C14H17ClFNO2S and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
PubChem CID72717983
Molecular FormulaC14H17ClFNO2S
Molecular Weight317.81 g/mol
Exact Mass317.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide
SMILESCOC1(CNC(=O)Cc2c(F)cccc2Cl)CCSC1
InChIInChI=1S/C14H17ClFNO2S/c1-19-14(5-6-20-9-14)8-17-13(18)7-10-11(15)3-2-4-12(10)16/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyAFHFZOIYNUBAGS-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.66
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-[(3-methoxythiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide (CID 72717983) is 2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide is COC1(CNC(=O)Cc2c(F)cccc2Cl)CCSC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
The InChIKey is AFHFZOIYNUBAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2S/c1-19-14(5-6-20-9-14)8-17-13(18)7-10-11(15)3-2-4-12(10)16/h2-4H,5-9H2,1H3,(H,17,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(3-methoxythiolan-3-yl)methyl]acetamide has a molecular weight of 317.81 g/mol, XLogP of 2.66, 5 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-[(3-methoxythiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 72717983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).