2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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

C93H81BrN10O5 — CID 159965716

About 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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

2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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 (PubChem CID 159965716) has the molecular formula C93H81BrN10O5 and a molecular weight of 1498.64 g/mol. Its IUPAC name is 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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.

Molecular Properties

• Compound Name: 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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
• PubChem CID: 159965716
• Molecular Formula: C93H81BrN10O5
• Molecular Weight: 1498.64 g/mol
• Exact Mass: 1496.56
• IUPAC Name: 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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
• SMILES: COc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cn[nH]c3C)c3ccccc32)cc1.[C-]#[N+]c1ccccc1C(=O)Cc1cn(Cc2ccc(C)cc2)c2ccccc12
• InChI: InChI=1S/C25H20N2O.C24H22N2O2.C23H19BrN2O.C21H20N4O/c1-18-11-13-19(14-12-18)16-27-17-20(21-7-4-6-10-24(21)27)15-25(28)22-8-3-5-9-23(22)26-2;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/h3-14,17H,15-16H2,1H3;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)
• InChIKey: ODXCSHIEIMGFBV-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 166.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1498.64
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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?

The IUPAC name of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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 (CID 159965716) is 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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.

What is the SMILES notation for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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?

The canonical SMILES for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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 is COc1ccccc1C(=O)Nc1cn(Cc2ccc(C)cc2)c2ccccc12.Cc1ccc(Cn2cc(NC(=O)c3ccccc3Br)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cn[nH]c3C)c3ccccc32)cc1.[C-]#[N+]c1ccccc1C(=O)Cc1cn(Cc2ccc(C)cc2)c2ccccc12.

What is the InChIKey of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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?

The InChIKey is ODXCSHIEIMGFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O.C24H22N2O2.C23H19BrN2O.C21H20N4O/c1-18-11-13-19(14-12-18)16-27-17-20(21-7-4-6-10-24(21)27)15-25(28)22-8-3-5-9-23(22)26-2;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/h3-14,17H,15-16H2,1H3;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).

What are the key properties of 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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?

2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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 has a molecular weight of 1498.64 g/mol, XLogP of 21.53, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[1-[(4-methylphenyl)methyl]indol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethanone;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 is sourced from PubChem (CID 159965716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).