2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride

C78H87Cl3F6N8O10Si — CID 159119903

About 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride

2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride (PubChem CID 159119903) has the molecular formula C78H87Cl3F6N8O10Si and a molecular weight of 1545.03 g/mol. Its IUPAC name is 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride
• PubChem CID: 159119903
• Molecular Formula: C78H87Cl3F6N8O10Si
• Molecular Weight: 1545.03 g/mol
• Exact Mass: 1542.53
• IUPAC Name: 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride
• SMILES: CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO[Si](C)(C)C(C)(C)C)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.Cl
• InChI: InChI=1S/C42H50ClF3N4O5Si.C36H36ClF3N4O5.ClH/c1-27(25-55-56(6,7)41(3,4)5)50(23-37(52)47-35-15-10-13-31(40(35)44)30-12-8-9-14-34(30)43)39(54)24-49-22-33(28(2)51)32-20-29(16-17-36(32)49)21-38(53)48-19-11-18-42(45,46)26-48;1-22(20-45)44(18-32(47)41-30-10-5-8-26(35(30)38)25-7-3-4-9-29(25)37)34(49)19-43-17-28(23(2)46)27-15-24(11-12-31(27)43)16-33(48)42-14-6-13-36(39,40)21-42;/h8-10,12-17,20,22,27H,11,18-19,21,23-26H2,1-7H3,(H,47,52);3-5,7-12,15,17,22,45H,6,13-14,16,18-21H2,1-2H3,(H,41,47);1H/t27-;22-;/m11./s1
• InChIKey: PDQQEXVEOYTFHW-XOLVUXOVSA-N
• XLogP: 15.35
• TPSA: 212.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1545.03
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride?

The IUPAC name of 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride (CID 159119903) is 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride.

What is the SMILES notation for 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride?

The canonical SMILES for 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride is CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)[C@H](C)CO[Si](C)(C)C(C)(C)C)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.Cl.

What is the InChIKey of 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride?

The InChIKey is PDQQEXVEOYTFHW-XOLVUXOVSA-N. The full InChI is InChI=1S/C42H50ClF3N4O5Si.C36H36ClF3N4O5.ClH/c1-27(25-55-56(6,7)41(3,4)5)50(23-37(52)47-35-15-10-13-31(40(35)44)30-12-8-9-14-34(30)43)39(54)24-49-22-33(28(2)51)32-20-29(16-17-36(32)49)21-38(53)48-19-11-18-42(45,46)26-48;1-22(20-45)44(18-32(47)41-30-10-5-8-26(35(30)38)25-7-3-4-9-29(25)37)34(49)19-43-17-28(23(2)46)27-15-24(11-12-31(27)43)16-33(48)42-14-6-13-36(39,40)21-42;/h8-10,12-17,20,22,27H,11,18-19,21,23-26H2,1-7H3,(H,47,52);3-5,7-12,15,17,22,45H,6,13-14,16,18-21H2,1-2H3,(H,41,47);1H/t27-;22-;/m11./s1.

What are the key properties of 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride?

2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride has a molecular weight of 1545.03 g/mol, XLogP of 15.35, 24 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]acetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 159119903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).