N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

C212H201BrFN13O19 — CID 160987248

About N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 160987248) has the molecular formula C212H201BrFN13O19 and a molecular weight of 3333.91 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• PubChem CID: 160987248
• Molecular Formula: C212H201BrFN13O19
• Molecular Weight: 3333.91 g/mol
• Exact Mass: 3330.43
• IUPAC Name: N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• SMILES: CCCC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1.COc1c(F)cccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NC(C)(C)c3ccc(Br)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccnc4ccccc34)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C38H42N2O.C35H31N3O.C34H34N2O.C33H31BrN2O.C33H31FN2O2.C33H32N2O.6CO2/c1-6-7-16-36(33-15-11-14-32(23-33)26(2)3)39-38(41)34-21-22-37-35(24-34)27(4)28(5)40(37)25-29-17-19-31(20-18-29)30-12-9-8-10-13-30;1-23-25(3)38(22-26-13-15-28(16-14-26)27-9-5-4-6-10-27)34-18-17-29(21-32(23)34)35(39)37-24(2)30-19-20-36-33-12-8-7-11-31(30)33;1-23(2)30-12-8-9-27(19-30)21-35-34(37)31-17-18-33-32(20-31)24(3)25(4)36(33)22-26-13-15-29(16-14-26)28-10-6-5-7-11-28;1-22-23(2)36(21-24-10-12-26(13-11-24)25-8-6-5-7-9-25)31-19-14-27(20-30(22)31)32(37)35-33(3,4)28-15-17-29(34)18-16-28;1-21-23(3)36(20-24-13-15-26(16-14-24)25-9-6-5-7-10-25)31-18-17-27(19-29(21)31)33(37)35-22(2)28-11-8-12-30(34)32(28)38-4;1-22-10-14-27(15-11-22)24(3)34-33(36)30-18-19-32-31(20-30)23(2)25(4)35(32)21-26-12-16-29(17-13-26)28-8-6-5-7-9-28;6*2-1-3/h8-15,17-24,26,36H,6-7,16,25H2,1-5H3,(H,39,41);4-21,24H,22H2,1-3H3,(H,37,39);5-20,23H,21-22H2,1-4H3,(H,35,37);5-20H,21H2,1-4H3,(H,35,37);5-19,22H,20H2,1-4H3,(H,35,37);5-20,24H,21H2,1-4H3,(H,34,36);;;;;;/t36-;24-;;;22-;24-;;;;;;/m01..00....../s1
• InChIKey: TUDHVOWFTIUQHI-YVXFLLQGSA-N
• XLogP: 46.08
• TPSA: 431.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3333.91
LogP ≤ 5	46.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 160987248) is N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is CCCC[C@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1)c1cccc(C(C)C)c1.COc1c(F)cccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NC(C)(C)c3ccc(Br)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3cccc(C(C)C)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccnc4ccccc34)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The InChIKey is TUDHVOWFTIUQHI-YVXFLLQGSA-N. The full InChI is InChI=1S/C38H42N2O.C35H31N3O.C34H34N2O.C33H31BrN2O.C33H31FN2O2.C33H32N2O.6CO2/c1-6-7-16-36(33-15-11-14-32(23-33)26(2)3)39-38(41)34-21-22-37-35(24-34)27(4)28(5)40(37)25-29-17-19-31(20-18-29)30-12-9-8-10-13-30;1-23-25(3)38(22-26-13-15-28(16-14-26)27-9-5-4-6-10-27)34-18-17-29(21-32(23)34)35(39)37-24(2)30-19-20-36-33-12-8-7-11-31(30)33;1-23(2)30-12-8-9-27(19-30)21-35-34(37)31-17-18-33-32(20-31)24(3)25(4)36(33)22-26-13-15-29(16-14-26)28-10-6-5-7-11-28;1-22-23(2)36(21-24-10-12-26(13-11-24)25-8-6-5-7-9-25)31-19-14-27(20-30(22)31)32(37)35-33(3,4)28-15-17-29(34)18-16-28;1-21-23(3)36(20-24-13-15-26(16-14-24)25-9-6-5-7-10-25)31-18-17-27(19-29(21)31)33(37)35-22(2)28-11-8-12-30(34)32(28)38-4;1-22-10-14-27(15-11-22)24(3)34-33(36)30-18-19-32-31(20-30)23(2)25(4)35(32)21-26-12-16-29(17-13-26)28-8-6-5-7-9-28;6*2-1-3/h8-15,17-24,26,36H,6-7,16,25H2,1-5H3,(H,39,41);4-21,24H,22H2,1-3H3,(H,37,39);5-20,23H,21-22H2,1-4H3,(H,35,37);5-20H,21H2,1-4H3,(H,35,37);5-19,22H,20H2,1-4H3,(H,35,37);5-20,24H,21H2,1-4H3,(H,34,36);;;;;;/t36-;24-;;;22-;24-;;;;;;/m01..00....../s1.

What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 3333.91 g/mol, XLogP of 46.08, 42 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-bromophenyl)propan-2-yl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(3-propan-2-ylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)pentyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-quinolin-4-ylethyl]indole-5-carboxamide;N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 160987248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).