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

C15H11ClN2O2 — CID 3615142

IUPACN-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2Cl)oc2ccccc12
InChIInChI=1S/C15H11ClN2O2/c1-9-10-5-2-3-7-12(10)20-13(9)15(19)18-11-6-4-8-17-14(11)16/h2-8H,1H3,(H,18,19)
InChIKeyVFCAYNGBDHABTK-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.04
Rot. Bonds2

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

N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 3615142) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID3615142
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC NameN-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccnc2Cl)oc2ccccc12
InChIInChI=1S/C15H11ClN2O2/c1-9-10-5-2-3-7-12(10)20-13(9)15(19)18-11-6-4-8-17-14(11)16/h2-8H,1H3,(H,18,19)
InChIKeyVFCAYNGBDHABTK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide (CID 3615142) is N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccnc2Cl)oc2ccccc12.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VFCAYNGBDHABTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-10-5-2-3-7-12(10)20-13(9)15(19)18-11-6-4-8-17-14(11)16/h2-8H,1H3,(H,18,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(2-chloro-3-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-(2-chloro-3-pyridinyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3615142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).