acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride

C100H128Br4Cl3FN6O23P3+ — CID 161115005

About acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride

acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride (PubChem CID 161115005) has the molecular formula C100H128Br4Cl3FN6O23P3+ and a molecular weight of 2320.04 g/mol. Its IUPAC name is acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride.

Molecular Properties

• Compound Name: acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride
• PubChem CID: 161115005
• Molecular Formula: C100H128Br4Cl3FN6O23P3+
• Molecular Weight: 2320.04 g/mol
• Exact Mass: 2313.40
• IUPAC Name: acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride
• SMILES: Brc1ccc2c(c1)CC=C2.CC(=O)C1=CCc2cc(Br)ccc21.CC(=O)Cl.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(Br)ccc12.CC(C)(C)OC(=O)CBr.CCOP(=O)(OCC)c1ccc2c(C(C)=O)cn(CC(=O)O)c2c1.CCOP(=O)(OCC)c1ccc2c(C(C)=O)cn(CC(=O)OC(C)(C)C)c2c1.CCO[P+](=O)OCC.CN(C)CC12CC1N[C@H](C(=O)NCc1cccc(Cl)c1F)C2.Cl
• InChI: InChI=1S/C20H28NO6P.C16H18BrNO3.C16H21ClFN3O.C16H20NO6P.C11H9BrO.C9H7Br.C6H11BrO2.C4H10O3P.C2H3ClO.ClH/c1-7-25-28(24,26-8-2)15-9-10-16-17(14(3)22)12-21(18(16)11-15)13-19(23)27-20(4,5)6;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-7-11(17)5-6-12(13)14;1-21(2)9-16-6-12(20-13(16)7-16)15(22)19-8-10-4-3-5-11(17)14(10)18;1-4-22-24(21,23-5-2)12-6-7-13-14(11(3)18)9-17(10-16(19)20)15(13)8-12;1-7(13)10-4-2-8-6-9(12)3-5-11(8)10;10-9-5-4-7-2-1-3-8(7)6-9;1-6(2,3)9-5(8)4-7;1-3-6-8(5)7-4-2;1-2(3)4;/h9-12H,7-8,13H2,1-6H3;5-8H,9H2,1-4H3;3-5,12-13,20H,6-9H2,1-2H3,(H,19,22);6-9H,4-5,10H2,1-3H3,(H,19,20);3-6H,2H2,1H3;1-2,4-6H,3H2;4H2,1-3H3;3-4H2,1-2H3;1H3;1H/q;;;;;;;+1;;/t;;12-,13?,16?;;;;;;;/m..0......./s1
• InChIKey: FQOOGOASZDLCSW-NLSSJISPSA-N
• XLogP: 23.25
• TPSA: 367.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2320.04
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride?

The IUPAC name of acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride (CID 161115005) is acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride.

What is the SMILES notation for acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride?

The canonical SMILES for acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride is Brc1ccc2c(c1)CC=C2.CC(=O)C1=CCc2cc(Br)ccc21.CC(=O)Cl.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(Br)ccc12.CC(C)(C)OC(=O)CBr.CCOP(=O)(OCC)c1ccc2c(C(C)=O)cn(CC(=O)O)c2c1.CCOP(=O)(OCC)c1ccc2c(C(C)=O)cn(CC(=O)OC(C)(C)C)c2c1.CCO[P+](=O)OCC.CN(C)CC12CC1N[C@H](C(=O)NCc1cccc(Cl)c1F)C2.Cl.

What is the InChIKey of acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride?

The InChIKey is FQOOGOASZDLCSW-NLSSJISPSA-N. The full InChI is InChI=1S/C20H28NO6P.C16H18BrNO3.C16H21ClFN3O.C16H20NO6P.C11H9BrO.C9H7Br.C6H11BrO2.C4H10O3P.C2H3ClO.ClH/c1-7-25-28(24,26-8-2)15-9-10-16-17(14(3)22)12-21(18(16)11-15)13-19(23)27-20(4,5)6;1-10(19)13-8-18(9-15(20)21-16(2,3)4)14-7-11(17)5-6-12(13)14;1-21(2)9-16-6-12(20-13(16)7-16)15(22)19-8-10-4-3-5-11(17)14(10)18;1-4-22-24(21,23-5-2)12-6-7-13-14(11(3)18)9-17(10-16(19)20)15(13)8-12;1-7(13)10-4-2-8-6-9(12)3-5-11(8)10;10-9-5-4-7-2-1-3-8(7)6-9;1-6(2,3)9-5(8)4-7;1-3-6-8(5)7-4-2;1-2(3)4;/h9-12H,7-8,13H2,1-6H3;5-8H,9H2,1-4H3;3-5,12-13,20H,6-9H2,1-2H3,(H,19,22);6-9H,4-5,10H2,1-3H3,(H,19,20);3-6H,2H2,1H3;1-2,4-6H,3H2;4H2,1-3H3;3-4H2,1-2H3;1H3;1H/q;;;;;;;+1;;/t;;12-,13?,16?;;;;;;;/m..0......./s1.

What are the key properties of acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride?

acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride has a molecular weight of 2320.04 g/mol, XLogP of 23.25, 30 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl chloride;2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetic acid;6-bromo-1H-indene;1-(5-bromo-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromoindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-diethoxyphosphorylindol-1-yl)acetate;tert-butyl 2-bromoacetate;(3S)-N-[(3-chloro-2-fluorophenyl)methyl]-5-[(dimethylamino)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;diethoxy(oxo)phosphanium;hydrochloride is sourced from PubChem (CID 161115005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).