7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide

C20H27FN2O2 — CID 24817328

IUPAC7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C2CC(C)(C)NC(C)(C)C2)oc2c(F)cccc12
InChIInChI=1S/C20H27FN2O2/c1-12-14-8-7-9-15(21)17(14)25-16(12)18(24)23(6)13-10-19(2,3)22-20(4,5)11-13/h7-9,13,22H,10-11H2,1-6H3
InChIKeyOFWYXANEPLCAGV-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.26
Rot. Bonds2

About 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 24817328) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
PubChem CID24817328
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C2CC(C)(C)NC(C)(C)C2)oc2c(F)cccc12
InChIInChI=1S/C20H27FN2O2/c1-12-14-8-7-9-15(21)17(14)25-16(12)18(24)23(6)13-10-19(2,3)22-20(4,5)11-13/h7-9,13,22H,10-11H2,1-6H3
InChIKeyOFWYXANEPLCAGV-UHFFFAOYSA-N
XLogP4.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide (CID 24817328) is 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C2CC(C)(C)NC(C)(C)C2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is OFWYXANEPLCAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-12-14-8-7-9-15(21)17(14)25-16(12)18(24)23(6)13-10-19(2,3)22-20(4,5)11-13/h7-9,13,22H,10-11H2,1-6H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,3-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24817328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).