N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C17H14F3NO2 — CID 58747562

IUPACN-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCC(=O)NCC1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1
InChIInChI=1S/C17H14F3NO2/c1-9(22)21-8-12-6-10-5-11(18)7-13(17(10)23-12)16-14(19)3-2-4-15(16)20/h2-5,7,12H,6,8H2,1H3,(H,21,22)
InChIKeyKSWSFUUSHFOTFZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.21
Rot. Bonds3

About N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 58747562) has the molecular formula C17H14F3NO2 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID58747562
Molecular FormulaC17H14F3NO2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC NameN-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCC(=O)NCC1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1
InChIInChI=1S/C17H14F3NO2/c1-9(22)21-8-12-6-10-5-11(18)7-13(17(10)23-12)16-14(19)3-2-4-15(16)20/h2-5,7,12H,6,8H2,1H3,(H,21,22)
InChIKeyKSWSFUUSHFOTFZ-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 58747562) is N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is CC(=O)NCC1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1.
What is the InChIKey of N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is KSWSFUUSHFOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO2/c1-9(22)21-8-12-6-10-5-11(18)7-13(17(10)23-12)16-14(19)3-2-4-15(16)20/h2-5,7,12H,6,8H2,1H3,(H,21,22).
What are the key properties of N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 321.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,6-difluorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 58747562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).