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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;hydroxide

C124H130BrClF5LiN14O20 — CID 157142038

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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;hydroxide (PubChem CID 157142038) has the molecular formula C124H130BrClF5LiN14O20 and a molecular weight of 2353.77 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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;hydroxide
• PubChem CID: 157142038
• Molecular Formula: C124H130BrClF5LiN14O20
• Molecular Weight: 2353.77 g/mol
• Exact Mass: 2350.85
• 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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;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.Fc1ccccc1CBr.O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1F.[Li+].[OH-]
• InChI: InChI=1S/C30H31FN4O3.C24H27FN2O3.C22H23FN2O3.C16H11FN2O4.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;17-13-4-2-1-3-10(13)9-18-14-6-5-12(19(22)23)7-11(14)8-15(18)16(20)21;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);1-8H,9H2,(H,20,21);3-6,12H,2H2,1H3;2-5H,9H2,1H3,(H,10,11);1-4H,5H2;4H2,1-3H3;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: AKHJFRMUJURAIF-UHFFFAOYSA-M
• XLogP: 25.35
• TPSA: 496.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2353.77
LogP ≤ 5	25.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;hydroxide (CID 157142038) 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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;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.Fc1ccccc1CBr.O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1F.[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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;hydroxide?

The InChIKey is AKHJFRMUJURAIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H31FN4O3.C24H27FN2O3.C22H23FN2O3.C16H11FN2O4.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;17-13-4-2-1-3-10(13)9-18-14-6-5-12(19(22)23)7-11(14)8-15(18)16(20)21;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);1-8H,9H2,(H,20,21);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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;hydroxide has a molecular weight of 2353.77 g/mol, XLogP of 25.35, 28 rotatable bonds, 10 hydrogen bond donors, and 23 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 5-nitro-1H-indole-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;hydroxide is sourced from PubChem (CID 157142038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).