N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide

C₁₉H₁₇FN₂O₃ — CID 17414778

About N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 17414778) has the molecular formula C₁₉H₁₇FN₂O₃ and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
• PubChem CID: 17414778
• Molecular Formula: C₁₉H₁₇FN₂O₃
• Molecular Weight: 340.35 g/mol
• Exact Mass: 340.12
• IUPAC Name: N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
• SMILES: CC(NC(=O)CNC(=O)c1ccc(F)cc1)c1cc2ccccc2o1
• InChI: InChI=1S/C19H17FN2O3/c1-12(17-10-14-4-2-3-5-16(14)25-17)22-18(23)11-21-19(24)13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
• InChIKey: JJLVYUGEZUFRIM-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.35
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?

The IUPAC name of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide (CID 17414778) is N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide.

What is the SMILES notation for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?

The canonical SMILES for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide is CC(NC(=O)CNC(=O)c1ccc(F)cc1)c1cc2ccccc2o1.

What is the InChIKey of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?

The InChIKey is JJLVYUGEZUFRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12(17-10-14-4-2-3-5-16(14)25-17)22-18(23)11-21-19(24)13-6-8-15(20)9-7-13/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23).

What are the key properties of N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide?

N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 340.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 17414778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17414778 — identifiers, structure, computed properties (public domain)

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