N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide

C17H15ClN2O2 — CID 1285237

IUPACN-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3ccc(Cl)cn3)coc2c1
InChIInChI=1S/C17H15ClN2O2/c1-10-5-11(2)17-12(9-22-14(17)6-10)7-16(21)20-15-4-3-13(18)8-19-15/h3-6,8-9H,7H2,1-2H3,(H,19,20,21)
InChIKeyGBQZKPOYMLRPMP-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.28
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 1285237) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID1285237
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3ccc(Cl)cn3)coc2c1
InChIInChI=1S/C17H15ClN2O2/c1-10-5-11(2)17-12(9-22-14(17)6-10)7-16(21)20-15-4-3-13(18)8-19-15/h3-6,8-9H,7H2,1-2H3,(H,19,20,21)
InChIKeyGBQZKPOYMLRPMP-UHFFFAOYSA-N
XLogP4.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 1285237) is N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)Nc3ccc(Cl)cn3)coc2c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is GBQZKPOYMLRPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-5-11(2)17-12(9-22-14(17)6-10)7-16(21)20-15-4-3-13(18)8-19-15/h3-6,8-9H,7H2,1-2H3,(H,19,20,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 314.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 1285237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).