N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C22H17F3N2O3 — CID 155464383

About N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464383) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 155464383
• Molecular Formula: C22H17F3N2O3
• Molecular Weight: 414.38 g/mol
• Exact Mass: 414.12
• IUPAC Name: N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: O=C(NC(c1ccccc1)c1ccc2c(c1)COC2)c1ccc(C(F)(F)F)[nH]c1=O
• InChI: InChI=1S/C22H17F3N2O3/c23-22(24,25)18-9-8-17(20(28)26-18)21(29)27-19(13-4-2-1-3-5-13)14-6-7-15-11-30-12-16(15)10-14/h1-10,19H,11-12H2,(H,26,28)(H,27,29)
• InChIKey: BVBQNBRZGIFATQ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 71.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.38
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464383) is N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc2c(c1)COC2)c1ccc(C(F)(F)F)[nH]c1=O.

What is the InChIKey of N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is BVBQNBRZGIFATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c23-22(24,25)18-9-8-17(20(28)26-18)21(29)27-19(13-4-2-1-3-5-13)14-6-7-15-11-30-12-16(15)10-14/h1-10,19H,11-12H2,(H,26,28)(H,27,29).

What are the key properties of N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 414.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,3-dihydro-2-benzofuran-5-yl(phenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).