2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide

C21H15FN2O2 — CID 58486827

IUPAC2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
SMILESCc1oc2ccccc2c1-c1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C21H15FN2O2/c1-13-20(16-7-3-5-9-18(16)26-13)14-10-11-19(23-12-14)24-21(25)15-6-2-4-8-17(15)22/h2-12H,1H3,(H,23,24,25)
InChIKeyZVGKSAZWJFFHHL-UHFFFAOYSA-N
MW346.36 g/mol
LogP5.19
Rot. Bonds3

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

2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide (PubChem CID 58486827) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
PubChem CID58486827
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide
SMILESCc1oc2ccccc2c1-c1ccc(NC(=O)c2ccccc2F)nc1
InChIInChI=1S/C21H15FN2O2/c1-13-20(16-7-3-5-9-18(16)26-13)14-10-11-19(23-12-14)24-21(25)15-6-2-4-8-17(15)22/h2-12H,1H3,(H,23,24,25)
InChIKeyZVGKSAZWJFFHHL-UHFFFAOYSA-N
XLogP5.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide (CID 58486827) is 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide is Cc1oc2ccccc2c1-c1ccc(NC(=O)c2ccccc2F)nc1.
What is the InChIKey of 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
The InChIKey is ZVGKSAZWJFFHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c1-13-20(16-7-3-5-9-18(16)26-13)14-10-11-19(23-12-14)24-21(25)15-6-2-4-8-17(15)22/h2-12H,1H3,(H,23,24,25).
What are the key properties of 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide?
2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide has a molecular weight of 346.36 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(2-methyl-1-benzofuran-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58486827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).