magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide

C61H57Br3Cl8F15MgN11O7 — CID 159661503

About magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide

magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide (PubChem CID 159661503) has the molecular formula C61H57Br3Cl8F15MgN11O7 and a molecular weight of 1888.81 g/mol. Its IUPAC name is magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide.

Molecular Properties

• Compound Name: magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide
• PubChem CID: 159661503
• Molecular Formula: C61H57Br3Cl8F15MgN11O7
• Molecular Weight: 1888.81 g/mol
• Exact Mass: 1880.91
• IUPAC Name: magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide
• SMILES: C.C.CC(C)(C)C(=O)Nc1cc(Cl)c(F)cc1Br.CC(O)(c1cc(F)c(Cl)cc1N)C(F)(F)F.CC(O)(c1cc(F)c(Cl)cc1Nc1ccnc(Cl)n1)C(F)(F)F.COc1cc(F)c([N+](=O)[O-])cc1N.Clc1ccnc(Cl)n1.Nc1cc(Cl)c(F)cc1Br.Nc1cc(Cl)c(F)cc1C(=O)C(F)(F)F.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C13H9Cl2F4N3O.C11H12BrClFNO.C9H8ClF4NO.C8H4ClF4NO.C7H7FN2O3.C6H4BrClFN.C4H2Cl2N2.2CH4.CH3.BrH.Mg/c1-12(23,13(17,18)19)6-4-8(16)7(14)5-9(6)21-10-2-3-20-11(15)22-10;1-11(2,3)10(16)15-9-5-7(13)8(14)4-6(9)12;1-8(16,9(12,13)14)4-2-6(11)5(10)3-7(4)15;9-4-2-6(14)3(1-5(4)10)7(15)8(11,12)13;1-13-7-2-4(8)6(10(11)12)3-5(7)9;7-3-1-5(9)4(8)2-6(3)10;5-3-1-2-7-4(6)8-3;;;;;/h2-5,23H,1H3,(H,20,21,22);4-5H,1-3H3,(H,15,16);2-3,16H,15H2,1H3;1-2H,14H2;2-3H,9H2,1H3;1-2H,10H2;1-2H;2*1H4;1H3;1H;/q;;;;;;;;;-1;;+2/p-1
• InChIKey: MDHSYRWUQVLSAW-UHFFFAOYSA-M
• XLogP: 18.58
• TPSA: 306.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1888.81
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide?

The IUPAC name of magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide (CID 159661503) is magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide.

What is the SMILES notation for magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide?

The canonical SMILES for magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide is C.C.CC(C)(C)C(=O)Nc1cc(Cl)c(F)cc1Br.CC(O)(c1cc(F)c(Cl)cc1N)C(F)(F)F.CC(O)(c1cc(F)c(Cl)cc1Nc1ccnc(Cl)n1)C(F)(F)F.COc1cc(F)c([N+](=O)[O-])cc1N.Clc1ccnc(Cl)n1.Nc1cc(Cl)c(F)cc1Br.Nc1cc(Cl)c(F)cc1C(=O)C(F)(F)F.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide?

The InChIKey is MDHSYRWUQVLSAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9Cl2F4N3O.C11H12BrClFNO.C9H8ClF4NO.C8H4ClF4NO.C7H7FN2O3.C6H4BrClFN.C4H2Cl2N2.2CH4.CH3.BrH.Mg/c1-12(23,13(17,18)19)6-4-8(16)7(14)5-9(6)21-10-2-3-20-11(15)22-10;1-11(2,3)10(16)15-9-5-7(13)8(14)4-6(9)12;1-8(16,9(12,13)14)4-2-6(11)5(10)3-7(4)15;9-4-2-6(14)3(1-5(4)10)7(15)8(11,12)13;1-13-7-2-4(8)6(10(11)12)3-5(7)9;7-3-1-5(9)4(8)2-6(3)10;5-3-1-2-7-4(6)8-3;;;;;/h2-5,23H,1H3,(H,20,21,22);4-5H,1-3H3,(H,15,16);2-3,16H,15H2,1H3;1-2H,14H2;2-3H,9H2,1H3;1-2H,10H2;1-2H;2*1H4;1H3;1H;/q;;;;;;;;;-1;;+2/p-1.

What are the key properties of magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide?

magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide has a molecular weight of 1888.81 g/mol, XLogP of 18.58, 8 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-(2-amino-4-chloro-5-fluorophenyl)-2,2,2-trifluoroethanone;2-(2-amino-4-chloro-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol;2-bromo-5-chloro-4-fluoroaniline;N-(2-bromo-5-chloro-4-fluorophenyl)-2,2-dimethylpropanamide;carbanide;2-[4-chloro-2-[(2-chloropyrimidin-4-yl)amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2,4-dichloropyrimidine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide is sourced from PubChem (CID 159661503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).