N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C25H19FN4O3 — CID 19461130

About N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 19461130) has the molecular formula C25H19FN4O3 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• PubChem CID: 19461130
• Molecular Formula: C25H19FN4O3
• Molecular Weight: 442.45 g/mol
• Exact Mass: 442.14
• IUPAC Name: N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
• SMILES: O=C(Nc1ncn(Cc2ccccc2F)n1)c1ccc(COc2ccc3ccccc3c2)o1
• InChI: InChI=1S/C25H19FN4O3/c26-22-8-4-3-7-19(22)14-30-16-27-25(29-30)28-24(31)23-12-11-21(33-23)15-32-20-10-9-17-5-1-2-6-18(17)13-20/h1-13,16H,14-15H2,(H,28,29,31)
• InChIKey: UUPUCQNVVBPCKE-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.45
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 19461130) is N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

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

The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is O=C(Nc1ncn(Cc2ccccc2F)n1)c1ccc(COc2ccc3ccccc3c2)o1.

What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?

The InChIKey is UUPUCQNVVBPCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O3/c26-22-8-4-3-7-19(22)14-30-16-27-25(29-30)28-24(31)23-12-11-21(33-23)15-32-20-10-9-17-5-1-2-6-18(17)13-20/h1-13,16H,14-15H2,(H,28,29,31).

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

N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19461130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).