lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide

C144H126Cl2F10LiN19O24 — CID 158191692

About lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide

lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide (PubChem CID 158191692) has the molecular formula C144H126Cl2F10LiN19O24 and a molecular weight of 2774.53 g/mol. Its IUPAC name is lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide
• PubChem CID: 158191692
• Molecular Formula: C144H126Cl2F10LiN19O24
• Molecular Weight: 2774.53 g/mol
• Exact Mass: 2771.86
• IUPAC Name: lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide
• SMILES: CC(C)(C)CC(=O)Cl.CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1c(F)cccc1F.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.Fc1cccc(F)c1CCl.Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1c(F)cccc1F.Nc1ccccc1.Nc1ccccc1.O=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2n1Cc1c(F)cccc1F.O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1c(F)cccc1F.[Li+].[OH-]
• InChI: InChI=1S/C28H27F2N3O2.C22H15F2N3O3.C22H17F2N3O.C16H10F2N2O4.2C11H10N2O4.C9H6N2O4.C7H5ClF2.C6H11ClO.2C6H7N.Li.H2O/c1-28(2,3)16-26(34)31-20-12-13-24-18(14-20)15-25(27(35)32-19-8-5-4-6-9-19)33(24)17-21-22(29)10-7-11-23(21)30;23-18-7-4-8-19(24)17(18)13-26-20-10-9-16(27(29)30)11-14(20)12-21(26)22(28)25-15-5-2-1-3-6-15;23-18-7-4-8-19(24)17(18)13-27-20-10-9-15(25)11-14(20)12-21(27)22(28)26-16-5-2-1-3-6-16;17-12-2-1-3-13(18)11(12)8-19-14-5-4-10(20(23)24)6-9(14)7-15(19)16(21)22;2*1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8;8-4-5-6(9)2-1-3-7(5)10;1-6(2,3)4-5(7)8;2*7-6-4-2-1-3-5-6;;/h4-15H,16-17H2,1-3H3,(H,31,34)(H,32,35);1-12H,13H2,(H,25,28);1-12H,13,25H2,(H,26,28);1-7H,8H2,(H,21,22);2*3-6,12H,2H2,1H3;1-4,10H,(H,12,13);1-3H,4H2;4H2,1-3H3;2*1-5H,7H2;;1H2/q;;;;;;;;;;;+1;/p-1
• InChIKey: FZVJVVLEXNUGGC-UHFFFAOYSA-M
• XLogP: 30.64
• TPSA: 651.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2774.53
LogP ≤ 5	30.64
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide?

The IUPAC name of lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide (CID 158191692) is lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide.

What is the SMILES notation for lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide?

The canonical SMILES for lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide is CC(C)(C)CC(=O)Cl.CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1c(F)cccc1F.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.Fc1cccc(F)c1CCl.Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2Cc1c(F)cccc1F.Nc1ccccc1.Nc1ccccc1.O=C(Nc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2n1Cc1c(F)cccc1F.O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1c(F)cccc1F.[Li+].[OH-].

What is the InChIKey of lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide?

The InChIKey is FZVJVVLEXNUGGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H27F2N3O2.C22H15F2N3O3.C22H17F2N3O.C16H10F2N2O4.2C11H10N2O4.C9H6N2O4.C7H5ClF2.C6H11ClO.2C6H7N.Li.H2O/c1-28(2,3)16-26(34)31-20-12-13-24-18(14-20)15-25(27(35)32-19-8-5-4-6-9-19)33(24)17-21-22(29)10-7-11-23(21)30;23-18-7-4-8-19(24)17(18)13-26-20-10-9-16(27(29)30)11-14(20)12-21(26)22(28)25-15-5-2-1-3-6-15;23-18-7-4-8-19(24)17(18)13-27-20-10-9-15(25)11-14(20)12-21(27)22(28)26-16-5-2-1-3-6-16;17-12-2-1-3-13(18)11(12)8-19-14-5-4-10(20(23)24)6-9(14)7-15(19)16(21)22;2*1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;12-9(13)8-4-5-3-6(11(14)15)1-2-7(5)10-8;8-4-5-6(9)2-1-3-7(5)10;1-6(2,3)4-5(7)8;2*7-6-4-2-1-3-5-6;;/h4-15H,16-17H2,1-3H3,(H,31,34)(H,32,35);1-12H,13H2,(H,25,28);1-12H,13,25H2,(H,26,28);1-7H,8H2,(H,21,22);2*3-6,12H,2H2,1H3;1-4,10H,(H,12,13);1-3H,4H2;4H2,1-3H3;2*1-5H,7H2;;1H2/q;;;;;;;;;;;+1;/p-1.

What are the key properties of lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide?

lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide has a molecular weight of 2774.53 g/mol, XLogP of 30.64, 29 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-amino-1-[(2,6-difluorophenyl)methyl]-N-phenylindole-2-carboxamide;aniline;2-(chloromethyl)-1,3-difluorobenzene;1-[(2,6-difluorophenyl)methyl]-5-(3,3-dimethylbutanoylamino)-N-phenylindole-2-carboxamide;1-[(2,6-difluorophenyl)methyl]-5-nitroindole-2-carboxylic acid;1-[(2,6-difluorophenyl)methyl]-5-nitro-N-phenylindole-2-carboxamide;3,3-dimethylbutanoyl chloride;bis(ethyl 5-nitro-1H-indole-2-carboxylate);5-nitro-1H-indole-2-carboxylic acid;hydroxide is sourced from PubChem (CID 158191692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).