dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane

C94H98Br6Cl7F2K2N7O16Sn — CID 161079101

About dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane

dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane (PubChem CID 161079101) has the molecular formula C94H98Br6Cl7F2K2N7O16Sn and a molecular weight of 2544.35 g/mol. Its IUPAC name is dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane.

Molecular Properties

• Compound Name: dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane
• PubChem CID: 161079101
• Molecular Formula: C94H98Br6Cl7F2K2N7O16Sn
• Molecular Weight: 2544.35 g/mol
• Exact Mass: 2534.83
• IUPAC Name: dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane
• SMILES: Brc1ccc2c(c1)CC=C2.C=C(Cn1cc(C(C)=O)c2ccc(Br)cc21)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.CC(=O)Cl.CC(=O)c1c[nH]c2cc(Br)ccc12.CC(=O)c1cn(CC(=O)O)c2cc(Br)ccc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(Br)ccc12.CC(C)(C)OC(=O)CBr.Cl[Sn](Cl)(Cl)Cl.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C25H24BrClFN3O2.C16H18BrNO3.C13H15ClFNO.C12H10BrNO3.C10H8BrNO.C9H7Br.C6H11BrO2.C2H3ClO.CH2O3.4ClH.2K.Sn.H/c1-15(12-30-13-21(16(2)32)20-9-6-18(26)10-23(20)30)31(19-7-8-19)14-24(33)29-11-17-4-3-5-22(27)25(17)28;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-7-11(17)5-6-12(13)14;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-7(15)10-5-14(6-12(16)17)11-4-8(13)2-3-9(10)11;1-6(13)9-5-12-10-4-7(11)2-3-8(9)10;10-9-5-4-7-2-1-3-8(7)6-9;1-6(2,3)9-5(8)4-7;1-2(3)4;2-1-4-3;;;;;;;;/h3-6,9-10,13,19H,1,7-8,11-12,14H2,2H3,(H,29,33);5-8H,9H2,1-4H3;1-3,9H,4-8H2,(H,16,17);2-5H,6H2,1H3,(H,16,17);2-5,12H,1H3;1-2,4-6H,3H2;4H2,1-3H3;1H3;1,3H;4*1H;;;;/q;;;;;;;;;;;;;2*+1;+4;-1/p-5
• InChIKey: DDDHPVYUBCYWBN-UHFFFAOYSA-I
• XLogP: 19.20
• TPSA: 316.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2544.35
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane?

The IUPAC name of dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane (CID 161079101) is dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane.

What is the SMILES notation for dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane?

The canonical SMILES for dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane is Brc1ccc2c(c1)CC=C2.C=C(Cn1cc(C(C)=O)c2ccc(Br)cc21)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.CC(=O)Cl.CC(=O)c1c[nH]c2cc(Br)ccc12.CC(=O)c1cn(CC(=O)O)c2cc(Br)ccc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(Br)ccc12.CC(C)(C)OC(=O)CBr.Cl[Sn](Cl)(Cl)Cl.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane?

The InChIKey is DDDHPVYUBCYWBN-UHFFFAOYSA-I. The full InChI is InChI=1S/C25H24BrClFN3O2.C16H18BrNO3.C13H15ClFNO.C12H10BrNO3.C10H8BrNO.C9H7Br.C6H11BrO2.C2H3ClO.CH2O3.4ClH.2K.Sn.H/c1-15(12-30-13-21(16(2)32)20-9-6-18(26)10-23(20)30)31(19-7-8-19)14-24(33)29-11-17-4-3-5-22(27)25(17)28;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-7-11(17)5-6-12(13)14;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-7(15)10-5-14(6-12(16)17)11-4-8(13)2-3-9(10)11;1-6(13)9-5-12-10-4-7(11)2-3-8(9)10;10-9-5-4-7-2-1-3-8(7)6-9;1-6(2,3)9-5(8)4-7;1-2(3)4;2-1-4-3;;;;;;;;/h3-6,9-10,13,19H,1,7-8,11-12,14H2,2H3,(H,29,33);5-8H,9H2,1-4H3;1-3,9H,4-8H2,(H,16,17);2-5H,6H2,1H3,(H,16,17);2-5,12H,1H3;1-2,4-6H,3H2;4H2,1-3H3;1H3;1,3H;4*1H;;;;/q;;;;;;;;;;;;;2*+1;+4;-1/p-5.

What are the key properties of dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane?

dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane has a molecular weight of 2544.35 g/mol, XLogP of 19.20, 23 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-(3-acetyl-6-bromoindol-1-yl)acetic acid;2-[3-(3-acetyl-6-bromoindol-1-yl)prop-1-en-2-yl-cyclopropylamino]-N-[(3-chloro-2-fluorophenyl)methyl]acetamide;acetyl chloride;6-bromo-1H-indene;1-(6-bromo-1H-indol-3-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-bromoacetate;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;hydride;oxido formate;tetrachlorostannane is sourced from PubChem (CID 161079101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).