N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide

C87H67BrF10N12O7 — CID 161023940

About N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide

N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 161023940) has the molecular formula C87H67BrF10N12O7 and a molecular weight of 1662.45 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide
• PubChem CID: 161023940
• Molecular Formula: C87H67BrF10N12O7
• Molecular Weight: 1662.45 g/mol
• Exact Mass: 1660.43
• IUPAC Name: N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1Br.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3cnccn3)ccc2C(F)(F)F)cc1
• InChI: InChI=1S/C29H22BrF3N4O2.C29H22F4N4O2.C29H23F3N4O3/c2*1-16-8-10-18(15-22(16)30)36-25(38)20-14-17(9-11-21(20)29(31,32)33)19-6-4-7-23-24(19)28(2,3)26(39)37(23)27-34-12-5-13-35-27;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)39-28(2,3)27(38)36(23)24-16-33-13-14-34-24/h2*4-15H,1-3H3,(H,36,38);4-16H,1-3H3,(H,35,37)
• InChIKey: TYSWBSDOXLRSAP-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 234.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.45
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide?

The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 161023940) is N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide.

What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide?

The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1Br.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3cnccn3)ccc2C(F)(F)F)cc1.

What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide?

The InChIKey is TYSWBSDOXLRSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22BrF3N4O2.C29H22F4N4O2.C29H23F3N4O3/c2*1-16-8-10-18(15-22(16)30)36-25(38)20-14-17(9-11-21(20)29(31,32)33)19-6-4-7-23-24(19)28(2,3)26(39)37(23)27-34-12-5-13-35-27;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)39-28(2,3)27(38)36(23)24-16-33-13-14-34-24/h2*4-15H,1-3H3,(H,36,38);4-16H,1-3H3,(H,35,37).

What are the key properties of N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide?

N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1662.45 g/mol, XLogP of 20.82, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 161023940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).