N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

C199H177Br2N23O11 — CID 159275840

About N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 159275840) has the molecular formula C199H177Br2N23O11 and a molecular weight of 3226.56 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• PubChem CID: 159275840
• Molecular Formula: C199H177Br2N23O11
• Molecular Weight: 3226.56 g/mol
• Exact Mass: 3222.24
• IUPAC Name: N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• SMILES: CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCCCC(=O)c3ccccc3)cc12
• InChI: InChI=1S/C35H32N2O4.C34H32N6O.C34H31N3O.C33H29BrN6O.C33H28BrN3O.C30H25N3O3/c1-23-24(2)37(22-25-14-16-26(17-15-25)29-11-6-7-12-30(29)35(40)41)32-19-18-28(21-31(23)32)34(39)36-20-8-13-33(38)27-9-4-3-5-10-27;1-4-31(26-10-6-5-7-11-26)35-34(41)27-18-19-32-30(20-27)22(2)23(3)40(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)33-36-38-39-37-33;1-4-32(27-10-6-5-7-11-27)36-34(38)28-18-19-33-31(20-28)23(2)24(3)37(33)22-25-14-16-26(17-15-25)30-13-9-8-12-29(30)21-35;1-20-22(3)40(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)32-36-38-39-37-32)31-17-14-26(18-30(20)31)33(41)35-21(2)24-12-15-27(34)16-13-24;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;1-21(23-11-14-28(15-12-23)33(35)36)31-30(34)27-13-16-29-26(19-27)17-18-32(29)20-22-7-9-25(10-8-22)24-5-3-2-4-6-24/h3-7,9-12,14-19,21H,8,13,20,22H2,1-2H3,(H,36,39)(H,40,41);5-20,31H,4,21H2,1-3H3,(H,35,41)(H,36,37,38,39);5-20,32H,4,22H2,1-3H3,(H,36,38);4-18,21H,19H2,1-3H3,(H,35,41)(H,36,37,38,39);4-18,22H,20H2,1-3H3,(H,36,38);2-19,21H,20H2,1H3,(H,31,34)/t;;;21-;22-;21-/m...000/s1
• InChIKey: KYHJZHCJVFNQSR-QGORRWAFSA-N
• XLogP: 44.09
• TPSA: 458.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 45
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3226.56
LogP ≤ 5	44.09
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 159275840) is N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ccccc1.CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C#N)cc1)c1ccccc1.C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(-c3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1.Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C#N)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCCCC(=O)c3ccccc3)cc12.

What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The InChIKey is KYHJZHCJVFNQSR-QGORRWAFSA-N. The full InChI is InChI=1S/C35H32N2O4.C34H32N6O.C34H31N3O.C33H29BrN6O.C33H28BrN3O.C30H25N3O3/c1-23-24(2)37(22-25-14-16-26(17-15-25)29-11-6-7-12-30(29)35(40)41)32-19-18-28(21-31(23)32)34(39)36-20-8-13-33(38)27-9-4-3-5-10-27;1-4-31(26-10-6-5-7-11-26)35-34(41)27-18-19-32-30(20-27)22(2)23(3)40(32)21-24-14-16-25(17-15-24)28-12-8-9-13-29(28)33-36-38-39-37-33;1-4-32(27-10-6-5-7-11-27)36-34(38)28-18-19-33-31(20-28)23(2)24(3)37(33)22-25-14-16-26(17-15-25)30-13-9-8-12-29(30)21-35;1-20-22(3)40(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)32-36-38-39-37-32)31-17-14-26(18-30(20)31)33(41)35-21(2)24-12-15-27(34)16-13-24;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;1-21(23-11-14-28(15-12-23)33(35)36)31-30(34)27-13-16-29-26(19-27)17-18-32(29)20-22-7-9-25(10-8-22)24-5-3-2-4-6-24/h3-7,9-12,14-19,21H,8,13,20,22H2,1-2H3,(H,36,39)(H,40,41);5-20,31H,4,21H2,1-3H3,(H,35,41)(H,36,37,38,39);5-20,32H,4,22H2,1-3H3,(H,36,38);4-18,21H,19H2,1-3H3,(H,35,41)(H,36,37,38,39);4-18,22H,20H2,1-3H3,(H,36,38);2-19,21H,20H2,1H3,(H,31,34)/t;;;21-;22-;21-/m...000/s1.

What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 3226.56 g/mol, XLogP of 44.09, 45 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-bromophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide;N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-(1-phenylpropyl)indole-5-carboxamide;2-[4-[[2,3-dimethyl-5-[(4-oxo-4-phenylbutyl)carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid;2,3-dimethyl-N-(1-phenylpropyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 159275840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).