lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide

C126H134BrClF5LiN14O20 — CID 159424954

About lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide

lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide (PubChem CID 159424954) has the molecular formula C126H134BrClF5LiN14O20 and a molecular weight of 2381.82 g/mol. Its IUPAC name is lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide
• PubChem CID: 159424954
• Molecular Formula: C126H134BrClF5LiN14O20
• Molecular Weight: 2381.82 g/mol
• Exact Mass: 2378.89
• IUPAC Name: lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide
• SMILES: CC(=O)Nc1ccc(N)cc1.CC(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1.CC(C)(C)CC(=O)Cl.CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccc1F.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1ccccc1F.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1F.Fc1ccccc1CBr.[Li+].[OH-]
• InChI: InChI=1S/C30H31FN4O3.C24H27FN2O3.C22H23FN2O3.C18H15FN2O4.C11H10N2O4.C8H10N2O.C7H6BrF.C6H11ClO.Li.H2O/c1-19(36)32-22-9-11-23(12-10-22)34-29(38)27-16-21-15-24(33-28(37)17-30(2,3)4)13-14-26(21)35(27)18-20-7-5-6-8-25(20)31;1-5-30-23(29)21-13-17-12-18(26-22(28)14-24(2,3)4)10-11-20(17)27(21)15-16-8-6-7-9-19(16)25;1-22(2,3)12-20(26)24-16-8-9-18-15(10-16)11-19(21(27)28)25(18)13-14-6-4-5-7-17(14)23;1-2-25-18(22)17-10-13-9-14(21(23)24)7-8-16(13)20(17)11-12-5-3-4-6-15(12)19;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-6(11)10-8-4-2-7(9)3-5-8;8-5-6-3-1-2-4-7(6)9;1-6(2,3)4-5(7)8;;/h5-16H,17-18H2,1-4H3,(H,32,36)(H,33,37)(H,34,38);6-13H,5,14-15H2,1-4H3,(H,26,28);4-11H,12-13H2,1-3H3,(H,24,26)(H,27,28);3-10H,2,11H2,1H3;3-6,12H,2H2,1H3;2-5H,9H2,1H3,(H,10,11);1-4H,5H2;4H2,1-3H3;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: LQFRZRRRHQYYPP-UHFFFAOYSA-M
• XLogP: 25.83
• TPSA: 485.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2381.82
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide?

The IUPAC name of lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide (CID 159424954) is lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide.

What is the SMILES notation for lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide?

The canonical SMILES for lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide is CC(=O)Nc1ccc(N)cc1.CC(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1.CC(C)(C)CC(=O)Cl.CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccccc1F.CCOC(=O)c1cc2cc(NC(=O)CC(C)(C)C)ccc2n1Cc1ccccc1F.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1F.Fc1ccccc1CBr.[Li+].[OH-].

What is the InChIKey of lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide?

The InChIKey is LQFRZRRRHQYYPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H31FN4O3.C24H27FN2O3.C22H23FN2O3.C18H15FN2O4.C11H10N2O4.C8H10N2O.C7H6BrF.C6H11ClO.Li.H2O/c1-19(36)32-22-9-11-23(12-10-22)34-29(38)27-16-21-15-24(33-28(37)17-30(2,3)4)13-14-26(21)35(27)18-20-7-5-6-8-25(20)31;1-5-30-23(29)21-13-17-12-18(26-22(28)14-24(2,3)4)10-11-20(17)27(21)15-16-8-6-7-9-19(16)25;1-22(2,3)12-20(26)24-16-8-9-18-15(10-16)11-19(21(27)28)25(18)13-14-6-4-5-7-17(14)23;1-2-25-18(22)17-10-13-9-14(21(23)24)7-8-16(13)20(17)11-12-5-3-4-6-15(12)19;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-6(11)10-8-4-2-7(9)3-5-8;8-5-6-3-1-2-4-7(6)9;1-6(2,3)4-5(7)8;;/h5-16H,17-18H2,1-4H3,(H,32,36)(H,33,37)(H,34,38);6-13H,5,14-15H2,1-4H3,(H,26,28);4-11H,12-13H2,1-3H3,(H,24,26)(H,27,28);3-10H,2,11H2,1H3;3-6,12H,2H2,1H3;2-5H,9H2,1H3,(H,10,11);1-4H,5H2;4H2,1-3H3;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide?

lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide has a molecular weight of 2381.82 g/mol, XLogP of 25.83, 29 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-(4-acetamidophenyl)-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide;N-(4-aminophenyl)acetamide;1-(bromomethyl)-2-fluorobenzene;5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylic acid;3,3-dimethylbutanoyl chloride;ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxylate;ethyl 1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydroxide is sourced from PubChem (CID 159424954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).