N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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

C168H148Cl3N15O5 — CID 157156255

About N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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 (PubChem CID 157156255) has the molecular formula C168H148Cl3N15O5 and a molecular weight of 2563.49 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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.

Molecular Properties

• Compound Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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
• PubChem CID: 157156255
• Molecular Formula: C168H148Cl3N15O5
• Molecular Weight: 2563.49 g/mol
• Exact Mass: 2560.09
• IUPAC Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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
• SMILES: CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)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)c3ccccc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Cl)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1
• InChI: InChI=1S/C35H33N3O.C34H31N3O.C33H27Cl2N3O.C33H28ClN3O.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;1-22-9-13-27(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(20-24-12-14-25(15-13-24)29-10-5-4-8-27(29)19-35)32-17-16-26(18-30(21)32)33(38)36-22(2)28-9-6-7-11-31(28)34;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);5-19,24H,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)/t2*24-;21-;22-;23-/m00000/s1
• InChIKey: ALVMYNOBZIQWOY-ZSUNMNJASA-N
• XLogP: 39.51
• TPSA: 289.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 31
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2563.49
LogP ≤ 5	39.51
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-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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?

The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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 (CID 157156255) is N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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.

What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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?

The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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 is CCc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)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)c3ccccc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3Cl)cc12.Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3C#N)cc2)cc1.

What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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?

The InChIKey is ALVMYNOBZIQWOY-ZSUNMNJASA-N. The full InChI is InChI=1S/C35H33N3O.C34H31N3O.C33H27Cl2N3O.C33H28ClN3O.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;1-22-9-13-27(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(20-24-12-14-25(15-13-24)29-10-5-4-8-27(29)19-35)32-17-16-26(18-30(21)32)33(38)36-22(2)28-9-6-7-11-31(28)34;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);5-19,24H,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)/t2*24-;21-;22-;23-/m00000/s1.

What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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?

N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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 has a molecular weight of 2563.49 g/mol, XLogP of 39.51, 31 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-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 is sourced from PubChem (CID 157156255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).