N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide

C15H11ClN2O2 — CID 738360

IUPACN-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccccc12
InChIInChI=1S/C15H11ClN2O2/c1-9-11-4-2-3-5-12(11)20-14(9)15(19)18-13-7-6-10(16)8-17-13/h2-8H,1H3,(H,17,18,19)
InChIKeyCSNJGPBXEUIPQL-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.04
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 738360) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID738360
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC NameN-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccccc12
InChIInChI=1S/C15H11ClN2O2/c1-9-11-4-2-3-5-12(11)20-14(9)15(19)18-13-7-6-10(16)8-17-13/h2-8H,1H3,(H,17,18,19)
InChIKeyCSNJGPBXEUIPQL-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.04
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)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide (CID 738360) is N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccccc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is CSNJGPBXEUIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-11-4-2-3-5-12(11)20-14(9)15(19)18-13-7-6-10(16)8-17-13/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 4.04, 2 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)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 738360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).