N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide

C167H145BrClF2N15O5 — CID 157438697

About N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide

N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide (PubChem CID 157438697) has the molecular formula C167H145BrClF2N15O5 and a molecular weight of 2595.45 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide
• PubChem CID: 157438697
• Molecular Formula: C167H145BrClF2N15O5
• Molecular Weight: 2595.45 g/mol
• Exact Mass: 2592.04
• IUPAC Name: N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide
• SMILES: Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Br)c3)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)c1
• InChI: InChI=1S/2C34H31N3O.C33H28BrN3O.C33H28ClN3O.C33H27F2N3O/c1-22-8-7-10-28(18-22)24(3)36-34(38)29-16-17-33-32(19-29)23(2)25(4)37(33)21-26-12-14-27(15-13-26)31-11-6-5-9-30(31)20-35;1-22-9-13-27(14-10-22)24(3)36-34(38)29-17-18-33-32(19-29)23(2)25(4)37(33)21-26-11-15-28(16-12-26)31-8-6-5-7-30(31)20-35;1-21-23(3)37(20-24-11-13-25(14-12-24)30-10-5-4-7-28(30)19-35)32-16-15-27(18-31(21)32)33(38)36-22(2)26-8-6-9-29(34)17-26;1-21-23(3)37(20-24-8-10-26(11-9-24)30-7-5-4-6-28(30)19-35)32-17-14-27(18-31(21)32)33(38)36-22(2)25-12-15-29(34)16-13-25;1-20-22(3)38(19-23-8-10-24(11-9-23)29-7-5-4-6-26(29)18-36)32-15-12-25(16-30(20)32)33(39)37-21(2)28-14-13-27(34)17-31(28)35/h2*5-19,24H,21H2,1-4H3,(H,36,38);2*4-18,22H,20H2,1-3H3,(H,36,38);4-17,21H,19H2,1-3H3,(H,37,39)/t2*24-;2*22-;21-/m00000/s1
• InChIKey: BRKHMBQOQBCTBX-JZVNTFFASA-N
• XLogP: 38.99
• TPSA: 289.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2595.45
LogP ≤ 5	38.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide?

The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide (CID 157438697) is N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide.

What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide?

The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide is Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(Br)c3)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.Cc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)c1.

What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide?

The InChIKey is BRKHMBQOQBCTBX-JZVNTFFASA-N. The full InChI is InChI=1S/2C34H31N3O.C33H28BrN3O.C33H28ClN3O.C33H27F2N3O/c1-22-8-7-10-28(18-22)24(3)36-34(38)29-16-17-33-32(19-29)23(2)25(4)37(33)21-26-12-14-27(15-13-26)31-11-6-5-9-30(31)20-35;1-22-9-13-27(14-10-22)24(3)36-34(38)29-17-18-33-32(19-29)23(2)25(4)37(33)21-26-11-15-28(16-12-26)31-8-6-5-7-30(31)20-35;1-21-23(3)37(20-24-11-13-25(14-12-24)30-10-5-4-7-28(30)19-35)32-16-15-27(18-31(21)32)33(38)36-22(2)26-8-6-9-29(34)17-26;1-21-23(3)37(20-24-8-10-26(11-9-24)30-7-5-4-6-28(30)19-35)32-17-14-27(18-31(21)32)33(38)36-22(2)25-12-15-29(34)16-13-25;1-20-22(3)38(19-23-8-10-24(11-9-23)29-7-5-4-6-26(29)18-36)32-15-12-25(16-30(20)32)33(39)37-21(2)28-14-13-27(34)17-31(28)35/h2*5-19,24H,21H2,1-4H3,(H,36,38);2*4-18,22H,20H2,1-3H3,(H,36,38);4-17,21H,19H2,1-3H3,(H,37,39)/t2*24-;2*22-;21-/m00000/s1.

What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide?

N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide has a molecular weight of 2595.45 g/mol, XLogP of 38.99, 30 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide is sourced from PubChem (CID 157438697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).