magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide

C94H119BrCl7F12MgN23O18 — CID 157058993

About magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide

magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide (PubChem CID 157058993) has the molecular formula C94H119BrCl7F12MgN23O18 and a molecular weight of 2439.48 g/mol. Its IUPAC name is magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide.

Molecular Properties

• Compound Name: magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide
• PubChem CID: 157058993
• Molecular Formula: C94H119BrCl7F12MgN23O18
• Molecular Weight: 2439.48 g/mol
• Exact Mass: 2433.58
• IUPAC Name: magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide
• SMILES: C.C.C1CCOC1.CC(C)(O)c1c(N)cc(F)c(Cl)c1F.CC(C)(O)c1c(Nc2ncnc(Cl)n2)cc(F)c(Cl)c1F.CC(C)O.CO.COC(=O)c1c(N)cc(F)c(Cl)c1F.COC(=O)c1c(N)cc(F)cc1F.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(Cl)c(F)c2C(C)(C)O)n1.Clc1ncnc(Cl)n1.Nc1cc(F)cc(F)c1C(=O)O.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C24H29ClF2N8O4.C12H10Cl2F2N4O.C12H20N4O3.C9H10ClF2NO.C8H6ClF2NO2.C8H7F2NO2.C7H5F2NO2.C4H8O.C3HCl2N3.C3H8O.CH4O.2CH4.CH3.BrH.Mg/c1-24(2,36)19-15(9-13(26)20(25)21(19)27)31-23-29-12-28-22(32-23)30-14-10-17(35(37)38)16(11-18(14)39-6)34(5)8-7-33(3)4;1-12(2,21)7-6(3-5(15)8(13)9(7)16)19-11-18-4-17-10(14)20-11;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-9(2,14)6-5(13)3-4(11)7(10)8(6)12;1-14-8(13)5-4(12)2-3(10)6(9)7(5)11;1-13-8(12)7-5(10)2-4(9)3-6(7)11;8-3-1-4(9)6(7(11)12)5(10)2-3;1-2-4-5-3-1;4-2-6-1-7-3(5)8-2;1-3(2)4;1-2;;;;;/h9-12,36H,7-8H2,1-6H3,(H2,28,29,30,31,32);3-4,21H,1-2H3,(H,17,18,19,20);7-8H,5-6,13H2,1-4H3;3,14H,13H2,1-2H3;2H,12H2,1H3;2-3H,11H2,1H3;1-2H,10H2,(H,11,12);1-4H2;1H;3-4H,1-2H3;2H,1H3;2*1H4;1H3;1H;/q;;;;;;;;;;;;;-1;;+2/p-1
• InChIKey: GXMPSNTWHTXYKP-UHFFFAOYSA-M
• XLogP: 16.35
• TPSA: 600.18 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2439.48
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide?

The IUPAC name of magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide (CID 157058993) is magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide.

What is the SMILES notation for magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide?

The canonical SMILES for magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide is C.C.C1CCOC1.CC(C)(O)c1c(N)cc(F)c(Cl)c1F.CC(C)(O)c1c(Nc2ncnc(Cl)n2)cc(F)c(Cl)c1F.CC(C)O.CO.COC(=O)c1c(N)cc(F)c(Cl)c1F.COC(=O)c1c(N)cc(F)cc1F.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cc(F)c(Cl)c(F)c2C(C)(C)O)n1.Clc1ncnc(Cl)n1.Nc1cc(F)cc(F)c1C(=O)O.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide?

The InChIKey is GXMPSNTWHTXYKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H29ClF2N8O4.C12H10Cl2F2N4O.C12H20N4O3.C9H10ClF2NO.C8H6ClF2NO2.C8H7F2NO2.C7H5F2NO2.C4H8O.C3HCl2N3.C3H8O.CH4O.2CH4.CH3.BrH.Mg/c1-24(2,36)19-15(9-13(26)20(25)21(19)27)31-23-29-12-28-22(32-23)30-14-10-17(35(37)38)16(11-18(14)39-6)34(5)8-7-33(3)4;1-12(2,21)7-6(3-5(15)8(13)9(7)16)19-11-18-4-17-10(14)20-11;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-9(2,14)6-5(13)3-4(11)7(10)8(6)12;1-14-8(13)5-4(12)2-3(10)6(9)7(5)11;1-13-8(12)7-5(10)2-4(9)3-6(7)11;8-3-1-4(9)6(7(11)12)5(10)2-3;1-2-4-5-3-1;4-2-6-1-7-3(5)8-2;1-3(2)4;1-2;;;;;/h9-12,36H,7-8H2,1-6H3,(H2,28,29,30,31,32);3-4,21H,1-2H3,(H,17,18,19,20);7-8H,5-6,13H2,1-4H3;3,14H,13H2,1-2H3;2H,12H2,1H3;2-3H,11H2,1H3;1-2H,10H2,(H,11,12);1-4H2;1H;3-4H,1-2H3;2H,1H3;2*1H4;1H3;1H;/q;;;;;;;;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide?

magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide has a molecular weight of 2439.48 g/mol, XLogP of 16.35, 24 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-(6-amino-3-chloro-2,4-difluorophenyl)propan-2-ol;2-amino-4,6-difluorobenzoic acid;carbanide;2-[3-chloro-6-[(4-chloro-1,3,5-triazin-2-yl)amino]-2,4-difluorophenyl]propan-2-ol;2-[3-chloro-6-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2,4-difluorophenyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;methane;methanol;methyl 6-amino-3-chloro-2,4-difluorobenzoate;methyl 2-amino-4,6-difluorobenzoate;oxolane;propan-2-ol;bromide is sourced from PubChem (CID 157058993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).