3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide

C34H26FN3O2 — CID 123159236

About 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide

3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide (PubChem CID 123159236) has the molecular formula C34H26FN3O2 and a molecular weight of 527.60 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide
• PubChem CID: 123159236
• Molecular Formula: C34H26FN3O2
• Molecular Weight: 527.60 g/mol
• Exact Mass: 527.20
• IUPAC Name: 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide
• SMILES: Cc1ccc(C(=O)N(C)C2(c3ccc4ccncc4n3)CC2)cc1-c1ccc2oc(-c3ccc(F)cc3)cc2c1
• InChI: InChI=1S/C34H26FN3O2/c1-21-3-4-25(33(39)38(2)34(14-15-34)32-12-8-22-13-16-36-20-29(22)37-32)18-28(21)24-7-11-30-26(17-24)19-31(40-30)23-5-9-27(35)10-6-23/h3-13,16-20H,14-15H2,1-2H3
• InChIKey: URASTPMXQFSTII-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.60
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide?

The IUPAC name of 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide (CID 123159236) is 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide.

What is the SMILES notation for 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide?

The canonical SMILES for 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide is Cc1ccc(C(=O)N(C)C2(c3ccc4ccncc4n3)CC2)cc1-c1ccc2oc(-c3ccc(F)cc3)cc2c1.

What is the InChIKey of 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide?

The InChIKey is URASTPMXQFSTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26FN3O2/c1-21-3-4-25(33(39)38(2)34(14-15-34)32-12-8-22-13-16-36-20-29(22)37-32)18-28(21)24-7-11-30-26(17-24)19-31(40-30)23-5-9-27(35)10-6-23/h3-13,16-20H,14-15H2,1-2H3.

What are the key properties of 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide?

3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide has a molecular weight of 527.60 g/mol, XLogP of 7.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-fluorophenyl)-1-benzofuran-5-yl]-N,4-dimethyl-N-[1-(1,7-naphthyridin-2-yl)cyclopropyl]benzamide is sourced from PubChem (CID 123159236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).