N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide

C24H18F2N2O4 — CID 16817822

About N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide

N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 16817822) has the molecular formula C24H18F2N2O4 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
• PubChem CID: 16817822
• Molecular Formula: C24H18F2N2O4
• Molecular Weight: 436.41 g/mol
• Exact Mass: 436.12
• IUPAC Name: N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
• SMILES: Cc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccc(F)c(F)c3)oc3ccccc23)c1
• InChI: InChI=1S/C24H18F2N2O4/c1-14-5-4-6-16(11-14)31-13-21(29)28-22-17-7-2-3-8-20(17)32-23(22)24(30)27-15-9-10-18(25)19(26)12-15/h2-12H,13H2,1H3,(H,27,30)(H,28,29)
• InChIKey: FBZAWUZIGHHVRV-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 80.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.41
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?

The IUPAC name of N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (CID 16817822) is N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is Cc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccc(F)c(F)c3)oc3ccccc23)c1.

What is the InChIKey of N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?

The InChIKey is FBZAWUZIGHHVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O4/c1-14-5-4-6-16(11-14)31-13-21(29)28-22-17-7-2-3-8-20(17)32-23(22)24(30)27-15-9-10-18(25)19(26)12-15/h2-12H,13H2,1H3,(H,27,30)(H,28,29).

What are the key properties of N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?

N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16817822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).