4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide

C106H75BBr2F16N14O10 — CID 159579367

About 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide

4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 159579367) has the molecular formula C106H75BBr2F16N14O10 and a molecular weight of 2179.44 g/mol. Its IUPAC name is 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
• PubChem CID: 159579367
• Molecular Formula: C106H75BBr2F16N14O10
• Molecular Weight: 2179.44 g/mol
• Exact Mass: 2176.40
• IUPAC Name: 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
• SMILES: Brc1ncccn1.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3c2CC(=O)N3c2ncccn2)ccc1C(F)(F)F.O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3c2CC(=O)N3c2ncccn2)ccc1C(F)(F)F.O=C1Cc2c(Br)cccc2N1.O=C1Cc2c(cccc2-c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)N1
• InChI: InChI=1S/2C26H16F4N4O2.C22H14F4N2O2.C20H20BF4NO3.C8H6BrNO.C4H3BrN2/c2*27-16-6-8-17(9-7-16)33-24(36)20-13-15(5-10-21(20)26(28,29)30)18-3-1-4-22-19(18)14-23(35)34(22)25-31-11-2-12-32-25;23-13-5-7-14(8-6-13)27-21(30)17-10-12(4-9-18(17)22(24,25)26)15-2-1-3-19-16(15)11-20(29)28-19;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;9-6-2-1-3-7-5(6)4-8(11)10-7;5-4-6-2-1-3-7-4/h2*1-13H,14H2,(H,33,36);1-10H,11H2,(H,27,30)(H,28,29);5-11H,1-4H3,(H,26,27);1-3H,4H2,(H,10,11);1-3H
• InChIKey: MIUVXGZRUUWYBB-UHFFFAOYSA-N
• XLogP: 24.39
• TPSA: 311.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2179.44
LogP ≤ 5	24.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?

The IUPAC name of 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide (CID 159579367) is 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?

The canonical SMILES for 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide is Brc1ncccn1.CC1(C)OB(c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)OC1(C)C.O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3c2CC(=O)N3c2ncccn2)ccc1C(F)(F)F.O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3c2CC(=O)N3c2ncccn2)ccc1C(F)(F)F.O=C1Cc2c(Br)cccc2N1.O=C1Cc2c(cccc2-c2ccc(C(F)(F)F)c(C(=O)Nc3ccc(F)cc3)c2)N1.

What is the InChIKey of 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?

The InChIKey is MIUVXGZRUUWYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H16F4N4O2.C22H14F4N2O2.C20H20BF4NO3.C8H6BrNO.C4H3BrN2/c2*27-16-6-8-17(9-7-16)33-24(36)20-13-15(5-10-21(20)26(28,29)30)18-3-1-4-22-19(18)14-23(35)34(22)25-31-11-2-12-32-25;23-13-5-7-14(8-6-13)27-21(30)17-10-12(4-9-18(17)22(24,25)26)15-2-1-3-19-16(15)11-20(29)28-19;1-18(2)19(3,4)29-21(28-18)12-5-10-16(20(23,24)25)15(11-12)17(27)26-14-8-6-13(22)7-9-14;9-6-2-1-3-7-5(6)4-8(11)10-7;5-4-6-2-1-3-7-4/h2*1-13H,14H2,(H,33,36);1-10H,11H2,(H,27,30)(H,28,29);5-11H,1-4H3,(H,26,27);1-3H,4H2,(H,10,11);1-3H.

What are the key properties of 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide?

4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 2179.44 g/mol, XLogP of 24.39, 14 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1,3-dihydroindol-2-one;2-bromopyrimidine;N-(4-fluorophenyl)-5-(2-oxo-1,3-dihydroindol-4-yl)-2-(trifluoromethyl)benzamide;bis(N-(4-fluorophenyl)-5-(2-oxo-1-pyrimidin-2-yl-3H-indol-4-yl)-2-(trifluoromethyl)benzamide);N-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159579367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).