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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Related Compounds

2,6-difluoro-3-[(4-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237267
3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237138
2,6-difluoro-3-[[5-(2-hydroxyphenyl)-1,3-benzothiazol-2-yl]methoxy]benzamide
CID 59402767
2,6-difluoro-3-(quinolin-7-ylmethoxy)benzamide
CID 59402735
2,6-difluoro-3-[(6-methyl-1,3-benzothiazol-2-yl)methoxy]benzamide
CID 46237268
2,6-difluoro-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 59402902
2,6-difluoro-3-[(3-methylphenyl)methoxy]benzamide;ethane
CID 143542803
2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
CID 66620086
3-[(5-ethoxy-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
CID 46237012
methyl 2-[(3-carbamoyl-2,4-difluorophenoxy)methyl]-1,3-benzothiazole-6-carboxylate
CID 59402909
2,6-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide;ethane
CID 143542941
2,6-difluoro-3-([1,3]thiazolo[5,4-b]pyridin-2-ylmethoxy)benzamide;ethane
CID 142447134

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).