dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone

C81H84BrCl2F11K2N8O16 — CID 158313578

About dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone

dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone (PubChem CID 158313578) has the molecular formula C81H84BrCl2F11K2N8O16 and a molecular weight of 1863.59 g/mol. Its IUPAC name is dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone.

Molecular Properties

• Compound Name: dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
• PubChem CID: 158313578
• Molecular Formula: C81H84BrCl2F11K2N8O16
• Molecular Weight: 1863.59 g/mol
• Exact Mass: 1860.37
• IUPAC Name: dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
• SMILES: CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21.CC(C)NCC(=O)NCc1cccc(Cl)c1F.O=C(O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21.O=C(c1c[nH]c2ccccc12)C(F)(F)F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C24H25ClFN3O3.C16H16F3NO3.C12H16ClFN2O.C12H8F3NO3.C10H6F3NO.C6H11BrO2.CH2O3.2K.H/c1-15(2)29(13-22(31)27-11-17-7-6-9-20(25)24(17)26)23(32)14-28-12-19(16(3)30)18-8-4-5-10-21(18)28;1-15(2,3)23-13(21)9-20-8-11(14(22)16(17,18)19)10-6-4-5-7-12(10)20;1-8(2)15-7-11(17)16-6-9-4-3-5-10(13)12(9)14;13-12(14,15)11(19)8-5-16(6-10(17)18)9-4-2-1-3-7(8)9;11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;1-6(2,3)9-5(8)4-7;2-1-4-3;;;/h4-10,12,15H,11,13-14H2,1-3H3,(H,27,31);4-8H,9H2,1-3H3;3-5,8,15H,6-7H2,1-2H3,(H,16,17);1-5H,6H2,(H,17,18);1-5,14H;4H2,1-3H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: RMZLWDLLKJUONO-UHFFFAOYSA-M
• XLogP: 9.67
• TPSA: 328.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.59
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?

The IUPAC name of dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone (CID 158313578) is dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone.

What is the SMILES notation for dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?

The canonical SMILES for dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccccc12.CC(C)(C)OC(=O)CBr.CC(C)(C)OC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21.CC(C)NCC(=O)NCc1cccc(Cl)c1F.O=C(O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21.O=C(c1c[nH]c2ccccc12)C(F)(F)F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?

The InChIKey is RMZLWDLLKJUONO-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25ClFN3O3.C16H16F3NO3.C12H16ClFN2O.C12H8F3NO3.C10H6F3NO.C6H11BrO2.CH2O3.2K.H/c1-15(2)29(13-22(31)27-11-17-7-6-9-20(25)24(17)26)23(32)14-28-12-19(16(3)30)18-8-4-5-10-21(18)28;1-15(2,3)23-13(21)9-20-8-11(14(22)16(17,18)19)10-6-4-5-7-12(10)20;1-8(2)15-7-11(17)16-6-9-4-3-5-10(13)12(9)14;13-12(14,15)11(19)8-5-16(6-10(17)18)9-4-2-1-3-7(8)9;11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8;1-6(2,3)9-5(8)4-7;2-1-4-3;;;/h4-10,12,15H,11,13-14H2,1-3H3,(H,27,31);4-8H,9H2,1-3H3;3-5,8,15H,6-7H2,1-2H3,(H,16,17);1-5H,6H2,(H,17,18);1-5,14H;4H2,1-3H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone?

dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone has a molecular weight of 1863.59 g/mol, XLogP of 9.67, 22 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-bromoacetate;tert-butyl 2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-2-(propan-2-ylamino)acetamide;hydride;oxido formate;2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 158313578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).