5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine

C100H86BBr2F18N9O10 — CID 157380610

About 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine

5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine (PubChem CID 157380610) has the molecular formula C100H86BBr2F18N9O10 and a molecular weight of 2086.42 g/mol. Its IUPAC name is 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine.

Molecular Properties

• Compound Name: 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine
• PubChem CID: 157380610
• Molecular Formula: C100H86BBr2F18N9O10
• Molecular Weight: 2086.42 g/mol
• Exact Mass: 2083.47
• IUPAC Name: 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine
• SMILES: CCCc1ccc(C)cn1.C[C@@H](Nc1ccc(O)cc1C(N)=O)c1c(F)cc(F)cc1F.Cc1cc(F)c([C@@H](C)Nc2ccc(Oc3cccc(Br)c3C(F)(F)F)cc2C(N)=O)c(F)c1.Cc1cc(F)c([C@@H](C)n2cnc(=O)c3cc(Oc4cccc(B5OCC(C)(C)CO5)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c([C@@H](C)n2cnc(=O)c3cc(Oc4cccc(Br)c4C(F)(F)F)ccc32)c(F)c1
• InChI: InChI=1S/C29H26BF5N2O4.C24H16BrF5N2O2.C23H18BrF5N2O2.C15H13F3N2O2.C9H13N/c1-16-10-21(31)25(22(32)11-16)17(2)37-15-36-27(38)19-12-18(8-9-23(19)37)41-24-7-5-6-20(26(24)29(33,34)35)30-39-13-28(3,4)14-40-30;1-12-8-17(26)21(18(27)9-12)13(2)32-11-31-23(33)15-10-14(6-7-19(15)32)34-20-5-3-4-16(25)22(20)24(28,29)30;1-11-8-16(25)20(17(26)9-11)12(2)31-18-7-6-13(10-14(18)22(30)32)33-19-5-3-4-15(24)21(19)23(27,28)29;1-7(14-11(17)4-8(16)5-12(14)18)20-13-3-2-9(21)6-10(13)15(19)22;1-3-4-9-6-5-8(2)7-10-9/h5-12,15,17H,13-14H2,1-4H3;3-11,13H,1-2H3;3-10,12,31H,1-2H3,(H2,30,32);2-7,20-21H,1H3,(H2,19,22);5-7H,3-4H2,1-2H3/t17-;13-;12-;7-;/m1111./s1
• InChIKey: BKVLQWZYFJBQQA-MEYIODDOSA-N
• XLogP: 25.88
• TPSA: 259.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.42
LogP ≤ 5	25.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine?

The IUPAC name of 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine (CID 157380610) is 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine.

What is the SMILES notation for 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine?

The canonical SMILES for 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine is CCCc1ccc(C)cn1.C[C@@H](Nc1ccc(O)cc1C(N)=O)c1c(F)cc(F)cc1F.Cc1cc(F)c([C@@H](C)Nc2ccc(Oc3cccc(Br)c3C(F)(F)F)cc2C(N)=O)c(F)c1.Cc1cc(F)c([C@@H](C)n2cnc(=O)c3cc(Oc4cccc(B5OCC(C)(C)CO5)c4C(F)(F)F)ccc32)c(F)c1.Cc1cc(F)c([C@@H](C)n2cnc(=O)c3cc(Oc4cccc(Br)c4C(F)(F)F)ccc32)c(F)c1.

What is the InChIKey of 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine?

The InChIKey is BKVLQWZYFJBQQA-MEYIODDOSA-N. The full InChI is InChI=1S/C29H26BF5N2O4.C24H16BrF5N2O2.C23H18BrF5N2O2.C15H13F3N2O2.C9H13N/c1-16-10-21(31)25(22(32)11-16)17(2)37-15-36-27(38)19-12-18(8-9-23(19)37)41-24-7-5-6-20(26(24)29(33,34)35)30-39-13-28(3,4)14-40-30;1-12-8-17(26)21(18(27)9-12)13(2)32-11-31-23(33)15-10-14(6-7-19(15)32)34-20-5-3-4-16(25)22(20)24(28,29)30;1-11-8-16(25)20(17(26)9-11)12(2)31-18-7-6-13(10-14(18)22(30)32)33-19-5-3-4-15(24)21(19)23(27,28)29;1-7(14-11(17)4-8(16)5-12(14)18)20-13-3-2-9(21)6-10(13)15(19)22;1-3-4-9-6-5-8(2)7-10-9/h5-12,15,17H,13-14H2,1-4H3;3-11,13H,1-2H3;3-10,12,31H,1-2H3,(H2,30,32);2-7,20-21H,1H3,(H2,19,22);5-7H,3-4H2,1-2H3/t17-;13-;12-;7-;/m1111./s1.

What are the key properties of 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine?

5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine has a molecular weight of 2086.42 g/mol, XLogP of 25.88, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-bromo-2-(trifluoromethyl)phenoxy]-2-[[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]amino]benzamide;6-[3-bromo-2-(trifluoromethyl)phenoxy]-1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]quinazolin-4-one;1-[(1R)-1-(2,6-difluoro-4-methylphenyl)ethyl]-6-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)phenoxy]quinazolin-4-one;5-hydroxy-2-[[(1R)-1-(2,4,6-trifluorophenyl)ethyl]amino]benzamide;5-methyl-2-propylpyridine is sourced from PubChem (CID 157380610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).