N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide

C23H19ClFN3O3 — CID 162746490

About N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide

N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide (PubChem CID 162746490) has the molecular formula C23H19ClFN3O3 and a molecular weight of 439.87 g/mol. Its IUPAC name is N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
• PubChem CID: 162746490
• Molecular Formula: C23H19ClFN3O3
• Molecular Weight: 439.87 g/mol
• Exact Mass: 439.11
• IUPAC Name: N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
• SMILES: CC(=O)N(c1ccc2c(c1)COC2)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1
• InChI: InChI=1S/C23H19ClFN3O3/c1-14(29)28(19-6-5-16-12-31-13-17(16)9-19)21-11-18(7-8-26-21)27-22(30)10-15-3-2-4-20(25)23(15)24/h2-9,11H,10,12-13H2,1H3,(H,26,27,30)
• InChIKey: JMUVYQAQTYOSGT-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.87
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide?

The IUPAC name of N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide (CID 162746490) is N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide.

What is the SMILES notation for N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide?

The canonical SMILES for N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide is CC(=O)N(c1ccc2c(c1)COC2)c1cc(NC(=O)Cc2cccc(F)c2Cl)ccn1.

What is the InChIKey of N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide?

The InChIKey is JMUVYQAQTYOSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3/c1-14(29)28(19-6-5-16-12-31-13-17(16)9-19)21-11-18(7-8-26-21)27-22(30)10-15-3-2-4-20(25)23(15)24/h2-9,11H,10,12-13H2,1H3,(H,26,27,30).

What are the key properties of N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide?

N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide has a molecular weight of 439.87 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide is sourced from PubChem (CID 162746490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).