2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide

C52H40Br3F19N6O6 — CID 160817572

About 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide

2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide (PubChem CID 160817572) has the molecular formula C52H40Br3F19N6O6 and a molecular weight of 1445.60 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide
• PubChem CID: 160817572
• Molecular Formula: C52H40Br3F19N6O6
• Molecular Weight: 1445.60 g/mol
• Exact Mass: 1442.03
• IUPAC Name: 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide
• SMILES: CC(C)OC(c1ccc(NC(=O)Cc2ccc(Br)cn2)cc1)(C(F)(F)F)C(F)(F)F.Cc1cc(NC(=O)Cc2ccc(Br)cn2)ccc1C(O)(C(F)(F)F)C(F)(F)F.O=C(Cc1ccc(Br)cn1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1
• InChI: InChI=1S/C19H17BrF6N2O2.C17H13BrF6N2O2.C16H10BrF7N2O2/c1-11(2)30-17(18(21,22)23,19(24,25)26)12-3-6-14(7-4-12)28-16(29)9-15-8-5-13(20)10-27-15;1-9-6-12(26-14(27)7-11-3-2-10(18)8-25-11)4-5-13(9)15(28,16(19,20)21)17(22,23)24;17-8-1-2-9(25-7-8)6-13(27)26-10-3-4-11(12(18)5-10)14(28,15(19,20)21)16(22,23)24/h3-8,10-11H,9H2,1-2H3,(H,28,29);2-6,8,28H,7H2,1H3,(H,26,27);1-5,7,28H,6H2,(H,26,27)
• InChIKey: SFCHPQKEZOLTBH-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 175.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1445.60
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide?

The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide (CID 160817572) is 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide?

The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide is CC(C)OC(c1ccc(NC(=O)Cc2ccc(Br)cn2)cc1)(C(F)(F)F)C(F)(F)F.Cc1cc(NC(=O)Cc2ccc(Br)cn2)ccc1C(O)(C(F)(F)F)C(F)(F)F.O=C(Cc1ccc(Br)cn1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1.

What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide?

The InChIKey is SFCHPQKEZOLTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF6N2O2.C17H13BrF6N2O2.C16H10BrF7N2O2/c1-11(2)30-17(18(21,22)23,19(24,25)26)12-3-6-14(7-4-12)28-16(29)9-15-8-5-13(20)10-27-15;1-9-6-12(26-14(27)7-11-3-2-10(18)8-25-11)4-5-13(9)15(28,16(19,20)21)17(22,23)24;17-8-1-2-9(25-7-8)6-13(27)26-10-3-4-11(12(18)5-10)14(28,15(19,20)21)16(22,23)24/h3-8,10-11H,9H2,1-2H3,(H,28,29);2-6,8,28H,7H2,1H3,(H,26,27);1-5,7,28H,6H2,(H,26,27).

What are the key properties of 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide?

2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide has a molecular weight of 1445.60 g/mol, XLogP of 14.89, 14 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-bromo-2-pyridinyl)-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide;2-(5-bromo-2-pyridinyl)-N-[4-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)phenyl]acetamide is sourced from PubChem (CID 160817572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).