dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride

C110H151Br2Cl5K2N12O18Sn — CID 158601095

About dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride

dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride (PubChem CID 158601095) has the molecular formula C110H151Br2Cl5K2N12O18Sn and a molecular weight of 2463.46 g/mol. Its IUPAC name is dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride.

Molecular Properties

• Compound Name: dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride
• PubChem CID: 158601095
• Molecular Formula: C110H151Br2Cl5K2N12O18Sn
• Molecular Weight: 2463.46 g/mol
• Exact Mass: 2458.64
• IUPAC Name: dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride
• SMILES: C.C.C.C=C(OCC)[Sn]CCCC.C=C(OCC)c1ccc(CC(NC(=O)c2ccc(OC(C)C)c(Cl)c2)C(=O)NC)cc1.CNC(=O)C(Cc1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1.CNC(=O)C(Cc1ccc(Br)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1.CNC(=O)C(Cc1ccc(C(=O)CBr)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1.Cl.O=CO[O-].[H-].[H]/N=C(\N)C(C)(C)C.[K+].[K+]
• InChI: InChI=1S/C27H33ClN4O3.C24H29ClN2O4.C22H24BrClN2O4.C20H22BrClN2O3.C5H12N2.C4H7O.C4H9.CH2O3.3CH4.ClH.2K.Sn.H/c1-16(2)35-23-12-11-19(14-20(23)28)24(33)31-21(25(34)29-6)13-17-7-9-18(10-8-17)22-15-30-26(32-22)27(3,4)5;1-6-30-16(4)18-9-7-17(8-10-18)13-21(24(29)26-5)27-23(28)19-11-12-22(20(25)14-19)31-15(2)3;1-13(2)30-20-9-8-16(11-17(20)24)21(28)26-18(22(29)25-3)10-14-4-6-15(7-5-14)19(27)12-23;1-12(2)27-18-9-6-14(11-16(18)22)19(25)24-17(20(26)23-3)10-13-4-7-15(21)8-5-13;1-5(2,3)4(6)7;1-3-5-4-2;1-3-4-2;2-1-4-3;;;;;;;;/h7-12,14-16,21H,13H2,1-6H3,(H,29,34)(H,30,32)(H,31,33);7-12,14-15,21H,4,6,13H2,1-3,5H3,(H,26,29)(H,27,28);4-9,11,13,18H,10,12H2,1-3H3,(H,25,29)(H,26,28);4-9,11-12,17H,10H2,1-3H3,(H,23,26)(H,24,25);1-3H3,(H3,6,7);1,4H2,2H3;1,3-4H2,2H3;1,3H;3*1H4;1H;;;;/q;;;;;;;;;;;;2*+1;;-1/p-1
• InChIKey: LILRNOICUXAVEY-UHFFFAOYSA-M
• XLogP: 15.16
• TPSA: 433.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 41
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2463.46
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride?

The IUPAC name of dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride (CID 158601095) is dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride.

What is the SMILES notation for dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride?

The canonical SMILES for dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride is C.C.C.C=C(OCC)[Sn]CCCC.C=C(OCC)c1ccc(CC(NC(=O)c2ccc(OC(C)C)c(Cl)c2)C(=O)NC)cc1.CNC(=O)C(Cc1ccc(-c2cnc(C(C)(C)C)[nH]2)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1.CNC(=O)C(Cc1ccc(Br)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1.CNC(=O)C(Cc1ccc(C(=O)CBr)cc1)NC(=O)c1ccc(OC(C)C)c(Cl)c1.Cl.O=CO[O-].[H-].[H]/N=C(\N)C(C)(C)C.[K+].[K+].

What is the InChIKey of dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride?

The InChIKey is LILRNOICUXAVEY-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H33ClN4O3.C24H29ClN2O4.C22H24BrClN2O4.C20H22BrClN2O3.C5H12N2.C4H7O.C4H9.CH2O3.3CH4.ClH.2K.Sn.H/c1-16(2)35-23-12-11-19(14-20(23)28)24(33)31-21(25(34)29-6)13-17-7-9-18(10-8-17)22-15-30-26(32-22)27(3,4)5;1-6-30-16(4)18-9-7-17(8-10-18)13-21(24(29)26-5)27-23(28)19-11-12-22(20(25)14-19)31-15(2)3;1-13(2)30-20-9-8-16(11-17(20)24)21(28)26-18(22(29)25-3)10-14-4-6-15(7-5-14)19(27)12-23;1-12(2)27-18-9-6-14(11-16(18)22)19(25)24-17(20(26)23-3)10-13-4-7-15(21)8-5-13;1-5(2,3)4(6)7;1-3-5-4-2;1-3-4-2;2-1-4-3;;;;;;;;/h7-12,14-16,21H,13H2,1-6H3,(H,29,34)(H,30,32)(H,31,33);7-12,14-15,21H,4,6,13H2,1-3,5H3,(H,26,29)(H,27,28);4-9,11,13,18H,10,12H2,1-3H3,(H,25,29)(H,26,28);4-9,11-12,17H,10H2,1-3H3,(H,23,26)(H,24,25);1-3H3,(H3,6,7);1,4H2,2H3;1,3-4H2,2H3;1,3H;3*1H4;1H;;;;/q;;;;;;;;;;;;2*+1;;-1/p-1.

What are the key properties of dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride?

dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride has a molecular weight of 2463.46 g/mol, XLogP of 15.16, 41 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-[3-[4-(2-bromoacetyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;N-[3-(4-bromophenyl)-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;butyl(1-ethoxyethenyl)tin;N-[3-[4-(2-tert-butyl-1H-imidazol-5-yl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[3-[4-(1-ethoxyethenyl)phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide;2,2-dimethylpropanimidamide;hydride;methane;oxido formate;hydrochloride is sourced from PubChem (CID 158601095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).