2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide

C113H98BrN13O7 — CID 161001950

About 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide

2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 161001950) has the molecular formula C113H98BrN13O7 and a molecular weight of 1830.01 g/mol. Its IUPAC name is 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide
• PubChem CID: 161001950
• Molecular Formula: C113H98BrN13O7
• Molecular Weight: 1830.01 g/mol
• Exact Mass: 1827.69
• IUPAC Name: 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide
• SMILES: COc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cn[nH]c3C)c3ccccc32)cc1.Cc1cccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)c1.[C-]#[N+]c1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12
• InChI: InChI=1S/C24H19N3O.C24H22N2O2.C23H19BrN2O.C21H20N4O.C21H18N2O2/c1-17-11-13-18(14-12-17)15-27-16-22(19-7-4-6-10-23(19)27)26-24(28)20-8-3-5-9-21(20)25-2;1-17-11-13-18(14-12-17)15-26-16-21(19-7-3-5-9-22(19)26)25-24(27)20-8-4-6-10-23(20)28-2;1-16-10-12-17(13-11-16)14-26-15-21(19-7-3-5-9-22(19)26)25-23(27)18-6-2-4-8-20(18)24;1-14-7-9-16(10-8-14)12-25-13-19(17-5-3-4-6-20(17)25)23-21(26)18-11-22-24-15(18)2;1-15-5-4-6-16(11-15)12-23-13-19(18-7-2-3-8-20(18)23)22-21(24)17-9-10-25-14-17/h3-14,16H,15H2,1H3,(H,26,28);3-14,16H,15H2,1-2H3,(H,25,27);2-13,15H,14H2,1H3,(H,25,27);3-11,13H,12H2,1-2H3,(H,22,24)(H,23,26);2-11,13-14H,12H2,1H3,(H,22,24)
• InChIKey: TVZQLNAKUWXSRP-UHFFFAOYSA-N
• XLogP: 26.20
• TPSA: 225.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1830.01
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide?

The IUPAC name of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide (CID 161001950) is 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide.

What is the SMILES notation for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide?

The canonical SMILES for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide is COc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cn[nH]c3C)c3ccccc32)cc1.Cc1cccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)c1.[C-]#[N+]c1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.

What is the InChIKey of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide?

The InChIKey is TVZQLNAKUWXSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O.C24H22N2O2.C23H19BrN2O.C21H20N4O.C21H18N2O2/c1-17-11-13-18(14-12-17)15-27-16-22(19-7-4-6-10-23(19)27)26-24(28)20-8-3-5-9-21(20)25-2;1-17-11-13-18(14-12-17)15-26-16-21(19-7-3-5-9-22(19)26)25-24(27)20-8-4-6-10-23(20)28-2;1-16-10-12-17(13-11-16)14-26-15-21(19-7-3-5-9-22(19)26)25-23(27)18-6-2-4-8-20(18)24;1-14-7-9-16(10-8-14)12-25-13-19(17-5-3-4-6-20(17)25)23-21(26)18-11-22-24-15(18)2;1-15-5-4-6-16(11-15)12-23-13-19(18-7-2-3-8-20(18)23)22-21(24)17-9-10-25-14-17/h3-14,16H,15H2,1H3,(H,26,28);3-14,16H,15H2,1-2H3,(H,25,27);2-13,15H,14H2,1H3,(H,25,27);3-11,13H,12H2,1-2H3,(H,22,24)(H,23,26);2-11,13-14H,12H2,1H3,(H,22,24).

What are the key properties of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide?

2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide has a molecular weight of 1830.01 g/mol, XLogP of 26.20, 21 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-isocyano-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;2-methoxy-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;5-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrazole-4-carboxamide;N-[1-[(3-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 161001950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).