5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

C17H15ClN2O2 — CID 852712

IUPAC5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-10-7-15-13(8-14(10)18)11(2)16(22-15)17(21)20-9-12-3-5-19-6-4-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyRXJRICPUUNYBRA-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.03
Rot. Bonds3

About 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 852712) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID852712
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-10-7-15-13(8-14(10)18)11(2)16(22-15)17(21)20-9-12-3-5-19-6-4-12/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyRXJRICPUUNYBRA-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 852712) is 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)NCc3ccncc3)c(C)c2cc1Cl.
What is the InChIKey of 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is RXJRICPUUNYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-10-7-15-13(8-14(10)18)11(2)16(22-15)17(21)20-9-12-3-5-19-6-4-12/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 852712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).