N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide

C20H17FN4O3 — CID 121078504

About N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide

N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 121078504) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 121078504
• Molecular Formula: C20H17FN4O3
• Molecular Weight: 380.38 g/mol
• Exact Mass: 380.13
• IUPAC Name: N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
• SMILES: Cn1c(-c2ccc(F)cc2)nn(CCNC(=O)c2cc3ccccc3o2)c1=O
• InChI: InChI=1S/C20H17FN4O3/c1-24-18(13-6-8-15(21)9-7-13)23-25(20(24)27)11-10-22-19(26)17-12-14-4-2-3-5-16(14)28-17/h2-9,12H,10-11H2,1H3,(H,22,26)
• InChIKey: JUNWZVHDVOBYNO-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.38
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide (CID 121078504) is N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide is Cn1c(-c2ccc(F)cc2)nn(CCNC(=O)c2cc3ccccc3o2)c1=O.

What is the InChIKey of N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide?

The InChIKey is JUNWZVHDVOBYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-24-18(13-6-8-15(21)9-7-13)23-25(20(24)27)11-10-22-19(26)17-12-14-4-2-3-5-16(14)28-17/h2-9,12H,10-11H2,1H3,(H,22,26).

What are the key properties of N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide?

N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121078504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).