N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate

C139H137Br5Cl4FN23O16 — CID 158226175

About N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate

N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate (PubChem CID 158226175) has the molecular formula C139H137Br5Cl4FN23O16 and a molecular weight of 2946.10 g/mol. Its IUPAC name is N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
• PubChem CID: 158226175
• Molecular Formula: C139H137Br5Cl4FN23O16
• Molecular Weight: 2946.10 g/mol
• Exact Mass: 2937.53
• IUPAC Name: N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Cl)ccc12)c1c[nH]c2ccc(Cl)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccc(Br)cc12.CC(NC(=O)c1c[nH]c2ccc(F)cc12)c1c[nH]c2ccc(Br)cc12
• InChI: InChI=1S/C24H24Br2N4O3.2C24H25BrN4O3.2C24H24Cl2N4O3.C19H15BrFN3O/c1-24(2,3)33-23(32)29-12-21(17-10-27-19-6-4-13(25)8-15(17)19)30-22(31)18-11-28-20-7-5-14(26)9-16(18)20;1-24(2,3)32-23(31)28-13-21(17-11-26-20-9-8-14(25)10-16(17)20)29-22(30)18-12-27-19-7-5-4-6-15(18)19;1-24(2,3)32-23(31)28-13-21(17-11-26-19-7-5-4-6-15(17)19)29-22(30)18-12-27-20-9-8-14(25)10-16(18)20;1-24(2,3)33-23(32)29-12-21(17-10-27-19-7-5-13(25)8-16(17)19)30-22(31)18-11-28-20-9-14(26)4-6-15(18)20;1-24(2,3)33-23(32)29-12-21(17-10-27-19-6-4-13(25)8-15(17)19)30-22(31)18-11-28-20-7-5-14(26)9-16(18)20;1-10(15-8-22-17-4-2-11(20)6-13(15)17)24-19(25)16-9-23-18-5-3-12(21)7-14(16)18/h4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2*4-12,21,26-27H,13H2,1-3H3,(H,28,31)(H,29,30);2*4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2-10,22-23H,1H3,(H,24,25)
• InChIKey: GDVCUVBISNTXHG-UHFFFAOYSA-N
• XLogP: 33.93
• TPSA: 555.73 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2946.10
LogP ≤ 5	33.93
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate?

The IUPAC name of N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate (CID 158226175) is N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate.

What is the SMILES notation for N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate?

The canonical SMILES for N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Cl)ccc12)c1c[nH]c2ccc(Cl)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccc(Br)cc12.CC(NC(=O)c1c[nH]c2ccc(F)cc12)c1c[nH]c2ccc(Br)cc12.

What is the InChIKey of N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate?

The InChIKey is GDVCUVBISNTXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2N4O3.2C24H25BrN4O3.2C24H24Cl2N4O3.C19H15BrFN3O/c1-24(2,3)33-23(32)29-12-21(17-10-27-19-6-4-13(25)8-15(17)19)30-22(31)18-11-28-20-7-5-14(26)9-16(18)20;1-24(2,3)32-23(31)28-13-21(17-11-26-20-9-8-14(25)10-16(17)20)29-22(30)18-12-27-19-7-5-4-6-15(18)19;1-24(2,3)32-23(31)28-13-21(17-11-26-19-7-5-4-6-15(17)19)29-22(30)18-12-27-20-9-8-14(25)10-16(18)20;1-24(2,3)33-23(32)29-12-21(17-10-27-19-7-5-13(25)8-16(17)19)30-22(31)18-11-28-20-9-14(26)4-6-15(18)20;1-24(2,3)33-23(32)29-12-21(17-10-27-19-6-4-13(25)8-15(17)19)30-22(31)18-11-28-20-7-5-14(26)9-16(18)20;1-10(15-8-22-17-4-2-11(20)6-13(15)17)24-19(25)16-9-23-18-5-3-12(21)7-14(16)18/h4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2*4-12,21,26-27H,13H2,1-3H3,(H,28,31)(H,29,30);2*4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2-10,22-23H,1H3,(H,24,25).

What are the key properties of N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate?

N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 2946.10 g/mol, XLogP of 33.93, 28 rotatable bonds, 23 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 158226175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).