4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole

C104H95BrN14O19 — CID 158515605

About 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole

4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole (PubChem CID 158515605) has the molecular formula C104H95BrN14O19 and a molecular weight of 1924.89 g/mol. Its IUPAC name is 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole.

Molecular Properties

• Compound Name: 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole
• PubChem CID: 158515605
• Molecular Formula: C104H95BrN14O19
• Molecular Weight: 1924.89 g/mol
• Exact Mass: 1922.61
• IUPAC Name: 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole
• SMILES: CCn1c(NC(=O)c2ccc(Br)cc2)c(C#N)c2ccc([N+](=O)[O-])cc21.CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c2ccc([N+](=O)[O-])cc21.CCn1cc(C(=O)C(C)C)c2ccc(OC)cc21.CCn1cc(C(=O)c2cccc(OC)c2)c2cc(OC)ccc21.CCn1cc(C(=O)c2cccc(OC)c2)c2ccc(OC)cc21.COc1ccc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1
• InChI: InChI=1S/2C19H19NO3.C18H13BrN4O3.C18H13N5O5.C15H12N2O3.C15H19NO2/c1-4-20-12-17(16-11-15(23-3)8-9-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-4-20-12-17(16-9-8-15(23-3)11-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-2-22-16-9-13(23(25)26)7-8-14(16)15(10-20)17(22)21-18(24)11-3-5-12(19)6-4-11;1-2-21-16-9-13(23(27)28)6-7-14(16)15(10-19)17(21)20-18(24)11-4-3-5-12(8-11)22(25)26;1-20-12-5-2-10(3-6-12)14-9-16-15-7-4-11(17(18)19)8-13(14)15;1-5-16-9-13(15(17)10(2)3)12-7-6-11(18-4)8-14(12)16/h2*5-12H,4H2,1-3H3;3-9H,2H2,1H3,(H,21,24);3-9H,2H2,1H3,(H,20,24);2-9,16H,1H3;6-10H,5H2,1-4H3
• InChIKey: SSZCVVUXPLDPDE-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 425.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.89
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'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 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole?

The IUPAC name of 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole (CID 158515605) is 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole.

What is the SMILES notation for 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole?

The canonical SMILES for 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole is CCn1c(NC(=O)c2ccc(Br)cc2)c(C#N)c2ccc([N+](=O)[O-])cc21.CCn1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(C#N)c2ccc([N+](=O)[O-])cc21.CCn1cc(C(=O)C(C)C)c2ccc(OC)cc21.CCn1cc(C(=O)c2cccc(OC)c2)c2cc(OC)ccc21.CCn1cc(C(=O)c2cccc(OC)c2)c2ccc(OC)cc21.COc1ccc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1.

What is the InChIKey of 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole?

The InChIKey is SSZCVVUXPLDPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19NO3.C18H13BrN4O3.C18H13N5O5.C15H12N2O3.C15H19NO2/c1-4-20-12-17(16-11-15(23-3)8-9-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-4-20-12-17(16-9-8-15(23-3)11-18(16)20)19(21)13-6-5-7-14(10-13)22-2;1-2-22-16-9-13(23(25)26)7-8-14(16)15(10-20)17(22)21-18(24)11-3-5-12(19)6-4-11;1-2-21-16-9-13(23(27)28)6-7-14(16)15(10-19)17(21)20-18(24)11-4-3-5-12(8-11)22(25)26;1-20-12-5-2-10(3-6-12)14-9-16-15-7-4-11(17(18)19)8-13(14)15;1-5-16-9-13(15(17)10(2)3)12-7-6-11(18-4)8-14(12)16/h2*5-12H,4H2,1-3H3;3-9H,2H2,1H3,(H,21,24);3-9H,2H2,1H3,(H,20,24);2-9,16H,1H3;6-10H,5H2,1-4H3.

What are the key properties of 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole?

4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole has a molecular weight of 1924.89 g/mol, XLogP of 23.14, 26 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)-3-nitrobenzamide;(1-ethyl-5-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;(1-ethyl-6-methoxyindol-3-yl)-(3-methoxyphenyl)methanone;1-(1-ethyl-6-methoxyindol-3-yl)-2-methylpropan-1-one;3-(4-methoxyphenyl)-5-nitro-1H-indole is sourced from PubChem (CID 158515605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).