2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide

C21H14F2N2O2 — CID 58487275

IUPAC2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
SMILESCc1oc2ccccc2c1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C21H14F2N2O2/c1-12-19(14-5-2-3-8-17(14)27-12)13-9-10-18(24-11-13)25-21(26)20-15(22)6-4-7-16(20)23/h2-11H,1H3,(H,24,25,26)
InChIKeyLWEMNCFQAHKKCL-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.33
Rot. Bonds3

About 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide

2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide (PubChem CID 58487275) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
PubChem CID58487275
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC Name2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
SMILESCc1oc2ccccc2c1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C21H14F2N2O2/c1-12-19(14-5-2-3-8-17(14)27-12)13-9-10-18(24-11-13)25-21(26)20-15(22)6-4-7-16(20)23/h2-11H,1H3,(H,24,25,26)
InChIKeyLWEMNCFQAHKKCL-UHFFFAOYSA-N
XLogP5.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide (CID 58487275) is 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide is Cc1oc2ccccc2c1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The InChIKey is LWEMNCFQAHKKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c1-12-19(14-5-2-3-8-17(14)27-12)13-9-10-18(24-11-13)25-21(26)20-15(22)6-4-7-16(20)23/h2-11H,1H3,(H,24,25,26).
What are the key properties of 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide has a molecular weight of 364.35 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58487275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).