3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride

C19H19Cl2F5N4O3 — CID 87438814

About 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride

3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride (PubChem CID 87438814) has the molecular formula C19H19Cl2F5N4O3 and a molecular weight of 517.28 g/mol. Its IUPAC name is 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride
• PubChem CID: 87438814
• Molecular Formula: C19H19Cl2F5N4O3
• Molecular Weight: 517.28 g/mol
• Exact Mass: 516.08
• IUPAC Name: 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride
• SMILES: Cl.Cl.NC(=O)C1OCCC1C(=O)NCc1ncc(Nc2ccc(F)cc2C(F)(F)F)cc1F
• InChI: InChI=1S/C19H17F5N4O3.2ClH/c20-9-1-2-14(12(5-9)19(22,23)24)28-10-6-13(21)15(26-7-10)8-27-18(30)11-3-4-31-16(11)17(25)29;;/h1-2,5-7,11,16,28H,3-4,8H2,(H2,25,29)(H,27,30);2*1H
• InChIKey: YHKVJWRBGANEGF-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 106.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.28
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride?

The IUPAC name of 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride (CID 87438814) is 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride.

What is the SMILES notation for 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride?

The canonical SMILES for 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride is Cl.Cl.NC(=O)C1OCCC1C(=O)NCc1ncc(Nc2ccc(F)cc2C(F)(F)F)cc1F.

What is the InChIKey of 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride?

The InChIKey is YHKVJWRBGANEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4O3.2ClH/c20-9-1-2-14(12(5-9)19(22,23)24)28-10-6-13(21)15(26-7-10)8-27-18(30)11-3-4-31-16(11)17(25)29;;/h1-2,5-7,11,16,28H,3-4,8H2,(H2,25,29)(H,27,30);2*1H.

What are the key properties of 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride?

3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride has a molecular weight of 517.28 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride is sourced from PubChem (CID 87438814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).