3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

C22H18F2N2O2 — CID 42326297

About 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (PubChem CID 42326297) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
• PubChem CID: 42326297
• Molecular Formula: C22H18F2N2O2
• Molecular Weight: 380.39 g/mol
• Exact Mass: 380.13
• IUPAC Name: 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
• SMILES: Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)c1cc(F)cc(F)c1)C2
• InChI: InChI=1S/C22H18F2N2O2/c1-13-4-3-7-25-20(13)19-6-2-5-14-10-18(28-21(14)19)12-26-22(27)15-8-16(23)11-17(24)9-15/h2-9,11,18H,10,12H2,1H3,(H,26,27)/t18-/m0/s1
• InChIKey: BVYVRXLCUVJUTI-SFHVURJKSA-N
• XLogP: 4.07
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.39
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?

The IUPAC name of 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (CID 42326297) is 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.

What is the SMILES notation for 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?

The canonical SMILES for 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)c1cc(F)cc(F)c1)C2.

What is the InChIKey of 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?

The InChIKey is BVYVRXLCUVJUTI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-13-4-3-7-25-20(13)19-6-2-5-14-10-18(28-21(14)19)12-26-22(27)15-8-16(23)11-17(24)9-15/h2-9,11,18H,10,12H2,1H3,(H,26,27)/t18-/m0/s1.

What are the key properties of 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?

3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide has a molecular weight of 380.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-[[(2S)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is sourced from PubChem (CID 42326297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).