magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide

C30H24BrCl2F6MgN3O5 — CID 159888705

IUPACmagnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide
SMILESCC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(F)(F)F.CON(C)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(F)(F)F.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C15H12ClF3N2O3.C14H9ClF3NO2.CH3.BrH.Mg/c1-21(23-2)14(22)11-7-8-12(20-13(11)15(17,18)19)24-10-5-3-9(16)4-6-10;1-8(20)11-6-7-12(19-13(11)14(16,17)18)21-10-4-2-9(15)3-5-10;;;/h3-8H,1-2H3;2-7H,1H3;1H3;1H;/q;;-1;;+2/p-1
InChIKeyLPDZGVIFAJWBIY-UHFFFAOYSA-M
MW795.64 g/mol
LogP6.00
Rot. Bonds7

About magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide

magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide (PubChem CID 159888705) has the molecular formula C30H24BrCl2F6MgN3O5 and a molecular weight of 795.64 g/mol. Its IUPAC name is magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide.

Molecular Properties

Compound Namemagnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide
PubChem CID159888705
Molecular FormulaC30H24BrCl2F6MgN3O5
Molecular Weight795.64 g/mol
Exact Mass793.00
IUPAC Namemagnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide
SMILESCC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(F)(F)F.CON(C)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(F)(F)F.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C15H12ClF3N2O3.C14H9ClF3NO2.CH3.BrH.Mg/c1-21(23-2)14(22)11-7-8-12(20-13(11)15(17,18)19)24-10-5-3-9(16)4-6-10;1-8(20)11-6-7-12(19-13(11)14(16,17)18)21-10-4-2-9(15)3-5-10;;;/h3-8H,1-2H3;2-7H,1H3;1H3;1H;/q;;-1;;+2/p-1
InChIKeyLPDZGVIFAJWBIY-UHFFFAOYSA-M
XLogP6.00
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.64
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide?
The IUPAC name of magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide (CID 159888705) is magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide.
What is the SMILES notation for magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide?
The canonical SMILES for magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide is CC(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(F)(F)F.CON(C)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(F)(F)F.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide?
The InChIKey is LPDZGVIFAJWBIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12ClF3N2O3.C14H9ClF3NO2.CH3.BrH.Mg/c1-21(23-2)14(22)11-7-8-12(20-13(11)15(17,18)19)24-10-5-3-9(16)4-6-10;1-8(20)11-6-7-12(19-13(11)14(16,17)18)21-10-4-2-9(15)3-5-10;;;/h3-8H,1-2H3;2-7H,1H3;1H3;1H;/q;;-1;;+2/p-1.
What are the key properties of magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide?
magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide has a molecular weight of 795.64 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;6-(4-chlorophenoxy)-N-methoxy-N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide;1-[6-(4-chlorophenoxy)-2-(trifluoromethyl)-3-pyridinyl]ethanone;bromide is sourced from PubChem (CID 159888705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).