3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide

C16H11F2NO2S — CID 59402891

IUPAC3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2cc3ccccc3s2)c1F
InChIInChI=1S/C16H11F2NO2S/c17-11-5-6-12(15(18)14(11)16(19)20)21-8-10-7-9-3-1-2-4-13(9)22-10/h1-7H,8H2,(H2,19,20)
InChIKeyZJZPLGPPYNVNIS-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.86
Rot. Bonds4

About 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide

3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide (PubChem CID 59402891) has the molecular formula C16H11F2NO2S and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide
PubChem CID59402891
Molecular FormulaC16H11F2NO2S
Molecular Weight319.33 g/mol
Exact Mass319.05
IUPAC Name3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2cc3ccccc3s2)c1F
InChIInChI=1S/C16H11F2NO2S/c17-11-5-6-12(15(18)14(11)16(19)20)21-8-10-7-9-3-1-2-4-13(9)22-10/h1-7H,8H2,(H2,19,20)
InChIKeyZJZPLGPPYNVNIS-UHFFFAOYSA-N
XLogP3.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide?
The IUPAC name of 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide (CID 59402891) is 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide.
What is the SMILES notation for 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide?
The canonical SMILES for 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OCc2cc3ccccc3s2)c1F.
What is the InChIKey of 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide?
The InChIKey is ZJZPLGPPYNVNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2S/c17-11-5-6-12(15(18)14(11)16(19)20)21-8-10-7-9-3-1-2-4-13(9)22-10/h1-7H,8H2,(H2,19,20).
What are the key properties of 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide?
3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide has a molecular weight of 319.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-ylmethoxy)-2,6-difluorobenzamide is sourced from PubChem (CID 59402891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).