1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide

C202H179Cl2FN18O7 — CID 158428991

About 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide

1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide (PubChem CID 158428991) has the molecular formula C202H179Cl2FN18O7 and a molecular weight of 3060.68 g/mol. Its IUPAC name is 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide
• PubChem CID: 158428991
• Molecular Formula: C202H179Cl2FN18O7
• Molecular Weight: 3060.68 g/mol
• Exact Mass: 3057.36
• IUPAC Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide
• SMILES: CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C#N)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(F)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1
• InChI: InChI=1S/C35H33N3O.C34H31N3O2.C34H31N3O.C33H27Cl2N3O.C33H28FN3O.C33H29N3O/c1-5-26-10-14-28(15-11-26)24(3)37-35(39)30-18-19-34-33(20-30)23(2)25(4)38(34)22-27-12-16-29(17-13-27)32-9-7-6-8-31(32)21-36;1-22-24(3)37(21-25-13-15-26(16-14-25)30-11-6-5-9-28(30)20-35)32-18-17-27(19-31(22)32)34(38)36-23(2)29-10-7-8-12-33(29)39-4;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;1-20-22(3)38(19-23-8-10-24(11-9-23)28-7-5-4-6-27(28)18-36)32-15-13-26(16-29(20)32)33(39)37-21(2)25-12-14-30(34)31(35)17-25;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;1-22-24(3)36(21-25-13-15-27(16-14-25)30-12-8-7-11-29(30)20-34)32-18-17-28(19-31(22)32)33(37)35-23(2)26-9-5-4-6-10-26/h6-20,24H,5,22H2,1-4H3,(H,37,39);5-19,23H,21H2,1-4H3,(H,36,38);5-19,24H,21H2,1-4H3,(H,36,38);4-17,21H,19H2,1-3H3,(H,37,39);4-18,22H,20H2,1-3H3,(H,36,38);4-19,23H,21H2,1-3H3,(H,35,37)/t24-;23-;24-;21-;22-;23-/m000000/s1
• InChIKey: HBKNPKMMNKGPGI-FOAZIIAJSA-N
• XLogP: 46.34
• TPSA: 356.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 38
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3060.68
LogP ≤ 5	46.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide?

The IUPAC name of 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide (CID 158428991) is 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide.

What is the SMILES notation for 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide?

The canonical SMILES for 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide is CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.COc1ccccc1[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C#N)cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(F)c3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.

What is the InChIKey of 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide?

The InChIKey is HBKNPKMMNKGPGI-FOAZIIAJSA-N. The full InChI is InChI=1S/C35H33N3O.C34H31N3O2.C34H31N3O.C33H27Cl2N3O.C33H28FN3O.C33H29N3O/c1-5-26-10-14-28(15-11-26)24(3)37-35(39)30-18-19-34-33(20-30)23(2)25(4)38(34)22-27-12-16-29(17-13-27)32-9-7-6-8-31(32)21-36;1-22-24(3)37(21-25-13-15-26(16-14-25)30-11-6-5-9-28(30)20-35)32-18-17-27(19-31(22)32)34(38)36-23(2)29-10-7-8-12-33(29)39-4;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;1-20-22(3)38(19-23-8-10-24(11-9-23)28-7-5-4-6-27(28)18-36)32-15-13-26(16-29(20)32)33(39)37-21(2)25-12-14-30(34)31(35)17-25;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;1-22-24(3)36(21-25-13-15-27(16-14-25)30-12-8-7-11-29(30)20-34)32-18-17-28(19-31(22)32)33(37)35-23(2)26-9-5-4-6-10-26/h6-20,24H,5,22H2,1-4H3,(H,37,39);5-19,23H,21H2,1-4H3,(H,36,38);5-19,24H,21H2,1-4H3,(H,36,38);4-17,21H,19H2,1-3H3,(H,37,39);4-18,22H,20H2,1-3H3,(H,36,38);4-19,23H,21H2,1-3H3,(H,35,37)/t24-;23-;24-;21-;22-;23-/m000000/s1.

What are the key properties of 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide?

1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide has a molecular weight of 3060.68 g/mol, XLogP of 46.34, 38 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[(1S)-1-phenylethyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylindole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 158428991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).