2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide

C20H18F2N4O3 — CID 46003924

About 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide

2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide (PubChem CID 46003924) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide
• PubChem CID: 46003924
• Molecular Formula: C20H18F2N4O3
• Molecular Weight: 400.39 g/mol
• Exact Mass: 400.13
• IUPAC Name: 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide
• SMILES: CC(C)NC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(F)c2)c1=O
• InChI: InChI=1S/C20H18F2N4O3/c1-12(2)23-18(27)17-19(28)25(11-13-6-5-7-14(21)10-13)20(29)26(24-17)16-9-4-3-8-15(16)22/h3-10,12H,11H2,1-2H3,(H,23,27)
• InChIKey: IKCVVRXSLPRVIR-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 85.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.39
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide?

The IUPAC name of 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide (CID 46003924) is 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide.

What is the SMILES notation for 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide?

The canonical SMILES for 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide is CC(C)NC(=O)c1nn(-c2ccccc2F)c(=O)n(Cc2cccc(F)c2)c1=O.

What is the InChIKey of 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide?

The InChIKey is IKCVVRXSLPRVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-12(2)23-18(27)17-19(28)25(11-13-6-5-7-14(21)10-13)20(29)26(24-17)16-9-4-3-8-15(16)22/h3-10,12H,11H2,1-2H3,(H,23,27).

What are the key properties of 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide?

2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-N-propan-2-yl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 46003924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).