N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C24H20F4N6O3 — CID 1143930

About N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1143930) has the molecular formula C24H20F4N6O3 and a molecular weight of 516.46 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 1143930
• Molecular Formula: C24H20F4N6O3
• Molecular Weight: 516.46 g/mol
• Exact Mass: 516.15
• IUPAC Name: N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccc(F)cc3)c3cccc(C(F)(F)F)c3)n2)o1
• InChI: InChI=1S/C24H20F4N6O3/c1-15-5-10-20(37-15)23-30-32-34(31-23)14-22(36)33(19-4-2-3-17(11-19)24(26,27)28)13-21(35)29-12-16-6-8-18(25)9-7-16/h2-11H,12-14H2,1H3,(H,29,35)
• InChIKey: NNRIBEHMGCTBAX-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.46
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1143930) is N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccc(F)cc3)c3cccc(C(F)(F)F)c3)n2)o1.

What is the InChIKey of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is NNRIBEHMGCTBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N6O3/c1-15-5-10-20(37-15)23-30-32-34(31-23)14-22(36)33(19-4-2-3-17(11-19)24(26,27)28)13-21(35)29-12-16-6-8-18(25)9-7-16/h2-11H,12-14H2,1H3,(H,29,35).

What are the key properties of N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 516.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1143930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).