ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen

C23H21F5N2O3 — CID 171071970

About ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen

ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen (PubChem CID 171071970) has the molecular formula C23H21F5N2O3 and a molecular weight of 468.42 g/mol. Its IUPAC name is ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen.

Molecular Properties

• Compound Name: ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen
• PubChem CID: 171071970
• Molecular Formula: C23H21F5N2O3
• Molecular Weight: 468.42 g/mol
• Exact Mass: 468.15
• IUPAC Name: ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen
• SMILES: C=C.C=O.Cc1nc(F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccccc1.[H][H]
• InChI: InChI=1S/C20H13F5N2O2.C2H4.CH2O.H2/c1-11-14(9-10-16(21)26-11)29-15-8-7-13(20(23,24)25)18(22)17(15)19(28)27-12-5-3-2-4-6-12;2*1-2;/h2-10H,1H3,(H,27,28);1-2H2;1H2;1H
• InChIKey: WGCFOVRCEPSVPN-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.42
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen?

The IUPAC name of ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen (CID 171071970) is ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen.

What is the SMILES notation for ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen?

The canonical SMILES for ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen is C=C.C=O.Cc1nc(F)ccc1Oc1ccc(C(F)(F)F)c(F)c1C(=O)Nc1ccccc1.[H][H].

What is the InChIKey of ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen?

The InChIKey is WGCFOVRCEPSVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O2.C2H4.CH2O.H2/c1-11-14(9-10-16(21)26-11)29-15-8-7-13(20(23,24)25)18(22)17(15)19(28)27-12-5-3-2-4-6-12;2*1-2;/h2-10H,1H3,(H,27,28);1-2H2;1H2;1H.

What are the key properties of ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen?

ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen has a molecular weight of 468.42 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethene;2-fluoro-6-[(6-fluoro-2-methyl-3-pyridinyl)oxy]-N-phenyl-3-(trifluoromethyl)benzamide;formaldehyde;molecular hydrogen is sourced from PubChem (CID 171071970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).