N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

C19H18FN5O2 — CID 45166748

About N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 45166748) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
• PubChem CID: 45166748
• Molecular Formula: C19H18FN5O2
• Molecular Weight: 367.38 g/mol
• Exact Mass: 367.14
• IUPAC Name: N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
• SMILES: O=C(CCn1cncn1)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1
• InChI: InChI=1S/C19H18FN5O2/c20-14-7-13-8-15(10-23-18(26)4-6-25-12-21-11-24-25)27-19(13)16(9-14)17-3-1-2-5-22-17/h1-3,5,7,9,11-12,15H,4,6,8,10H2,(H,23,26)
• InChIKey: AXEJIOPMMRKIIM-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.38
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?

The IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 45166748) is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.

What is the SMILES notation for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?

The canonical SMILES for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1.

What is the InChIKey of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?

The InChIKey is AXEJIOPMMRKIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-7-13-8-15(10-23-18(26)4-6-25-12-21-11-24-25)27-19(13)16(9-14)17-3-1-2-5-22-17/h1-3,5,7,9,11-12,15H,4,6,8,10H2,(H,23,26).

What are the key properties of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?

N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 367.38 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 45166748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).