dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde

C86H99Br5Cl2F5K2N7O17 — CID 161053223

About dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde

dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde (PubChem CID 161053223) has the molecular formula C86H99Br5Cl2F5K2N7O17 and a molecular weight of 2146.38 g/mol. Its IUPAC name is dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 161053223
• Molecular Formula: C86H99Br5Cl2F5K2N7O17
• Molecular Weight: 2146.38 g/mol
• Exact Mass: 2139.16
• IUPAC Name: dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.CC(=O)c1c[nH]c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)CBr.CC(C)CCC(=O)NCc1cccc(Cl)c1F.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C24H24BrClFN3O3.C16H18BrNO3.C13H17ClFNO.C12H10BrNO3.C10H8BrNO.C6H11BrO2.C2HF3O.CH2O3.2CH4.2K.H/c1-14(2)30(12-22(32)28-10-16-5-4-6-20(26)24(16)27)23(33)13-29-11-19(15(3)31)18-9-17(25)7-8-21(18)29;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-7(15)10-5-14(6-12(16)17)11-3-2-8(13)4-9(10)11;1-6(13)9-5-12-10-3-2-7(11)4-8(9)10;1-6(2,3)9-5(8)4-7;3-2(4,5)1-6;2-1-4-3;;;;;/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,32);5-8H,9H2,1-4H3;3-5,9H,6-8H2,1-2H3,(H,16,17);2-5H,6H2,1H3,(H,16,17);2-5,12H,1H3;4H2,1-3H3;1H;1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1
• InChIKey: KDOAPLKFFPHHNY-UHFFFAOYSA-M
• XLogP: 14.55
• TPSA: 333.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2146.38
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	4
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-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde (CID 161053223) is dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde is C.C.CC(=O)c1c[nH]c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)O)c2ccc(Br)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)CBr.CC(C)CCC(=O)NCc1cccc(Cl)c1F.O=CC(F)(F)F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde?

The InChIKey is KDOAPLKFFPHHNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24BrClFN3O3.C16H18BrNO3.C13H17ClFNO.C12H10BrNO3.C10H8BrNO.C6H11BrO2.C2HF3O.CH2O3.2CH4.2K.H/c1-14(2)30(12-22(32)28-10-16-5-4-6-20(26)24(16)27)23(33)13-29-11-19(15(3)31)18-9-17(25)7-8-21(18)29;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-6-5-11(17)7-12(13)14;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-7(15)10-5-14(6-12(16)17)11-3-2-8(13)4-9(10)11;1-6(13)9-5-12-10-3-2-7(11)4-8(9)10;1-6(2,3)9-5(8)4-7;3-2(4,5)1-6;2-1-4-3;;;;;/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,32);5-8H,9H2,1-4H3;3-5,9H,6-8H2,1-2H3,(H,16,17);2-5H,6H2,1H3,(H,16,17);2-5,12H,1H3;4H2,1-3H3;1H;1,3H;2*1H4;;;/q;;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde?

dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde has a molecular weight of 2146.38 g/mol, XLogP of 14.55, 22 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-(3-acetyl-5-bromoindol-1-yl)acetic acid;2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-(5-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;hydride;methane;oxido formate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 161053223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).