7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide

C19H25ClN2O2 — CID 8010960

IUPAC7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c(Cl)cccc12
InChIInChI=1S/C19H25ClN2O2/c1-11-13-7-6-8-14(20)16(13)24-15(11)17(23)21-12-9-18(2,3)22-19(4,5)10-12/h6-8,12,22H,9-10H2,1-5H3,(H,21,23)
InChIKeyOKQOPHUEBDZEMY-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.43
Rot. Bonds2

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

7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 8010960) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
PubChem CID8010960
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c(Cl)cccc12
InChIInChI=1S/C19H25ClN2O2/c1-11-13-7-6-8-14(20)16(13)24-15(11)17(23)21-12-9-18(2,3)22-19(4,5)10-12/h6-8,12,22H,9-10H2,1-5H3,(H,21,23)
InChIKeyOKQOPHUEBDZEMY-UHFFFAOYSA-N
XLogP4.43
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide (CID 8010960) is 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CC(C)(C)NC(C)(C)C2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is OKQOPHUEBDZEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-11-13-7-6-8-14(20)16(13)24-15(11)17(23)21-12-9-18(2,3)22-19(4,5)10-12/h6-8,12,22H,9-10H2,1-5H3,(H,21,23).
What are the key properties of 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8010960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).