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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide

C114H120Br3Cl9F24MgN26O15 — CID 158717665

IUPACmagnesium;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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide
SMILESC.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.CN(C)[C@@H]1CCNC1.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(O)C(F)(F)F)n1.COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(O)C(F)(F)F)n1.Nc1cc(Cl)c(F)cc1Br.Nc1cc(Cl)c(F)cc1C(=O)C(F)(F)F.Nc1ccnc(Cl)n1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C26H28ClF4N7O4.C20H15ClF5N5O4.C13H9Cl2F4N3O.C11H12BrClFNO.C9H8ClF4NO.C8H4ClF4NO.C7H7FN2O3.C6H4BrClFN.C6H14N2.C4H4ClN3.3CH4.CH3.BrH.Mg/c1-25(39,26(29,30)31)15-9-17(28)16(27)10-18(15)33-23-5-7-32-24(35-23)34-19-11-21(38(40)41)20(12-22(19)42-4)37-8-6-14(13-37)36(2)3;1-19(32,20(24,25)26)9-5-11(22)10(21)6-13(9)28-17-3-4-27-18(30-17)29-14-8-15(31(33)34)12(23)7-16(14)35-2;1-12(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;1-8(2)6-3-4-7-5-6;5-4-7-2-1-3(6)8-4;;;;;;/h5,7,9-12,14,39H,6,8,13H2,1-4H3,(H2,32,33,34,35);3-8,32H,1-2H3,(H2,27,28,29,30);2-5,23H,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;6-7H,3-5H2,1-2H3;1-2H,(H2,6,7,8);3*1H4;1H3;1H;/q;;;;;;;;;;;;;-1;;+2/p-1/t14-,25?;;;;;;;;6-;;;;;;;/m1.......1......./s1
InChIKeyDEKHBYQTSQRPSS-UQGWNESWSA-M
MW3133.43 g/mol
LogP29.22
Rot. Bonds25

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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide (PubChem CID 158717665) has the molecular formula C114H120Br3Cl9F24MgN26O15 and a molecular weight of 3133.43 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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide.

Molecular Properties

Compound Namemagnesium;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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide
PubChem CID158717665
Molecular FormulaC114H120Br3Cl9F24MgN26O15
Molecular Weight3133.43 g/mol
Exact Mass3124.36
IUPAC Namemagnesium;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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide
SMILESC.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.CN(C)[C@@H]1CCNC1.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(O)C(F)(F)F)n1.COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(O)C(F)(F)F)n1.Nc1cc(Cl)c(F)cc1Br.Nc1cc(Cl)c(F)cc1C(=O)C(F)(F)F.Nc1ccnc(Cl)n1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C26H28ClF4N7O4.C20H15ClF5N5O4.C13H9Cl2F4N3O.C11H12BrClFNO.C9H8ClF4NO.C8H4ClF4NO.C7H7FN2O3.C6H4BrClFN.C6H14N2.C4H4ClN3.3CH4.CH3.BrH.Mg/c1-25(39,26(29,30)31)15-9-17(28)16(27)10-18(15)33-23-5-7-32-24(35-23)34-19-11-21(38(40)41)20(12-22(19)42-4)37-8-6-14(13-37)36(2)3;1-19(32,20(24,25)26)9-5-11(22)10(21)6-13(9)28-17-3-4-27-18(30-17)29-14-8-15(31(33)34)12(23)7-16(14)35-2;1-12(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;1-8(2)6-3-4-7-5-6;5-4-7-2-1-3(6)8-4;;;;;;/h5,7,9-12,14,39H,6,8,13H2,1-4H3,(H2,32,33,34,35);3-8,32H,1-2H3,(H2,27,28,29,30);2-5,23H,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;6-7H,3-5H2,1-2H3;1-2H,(H2,6,7,8);3*1H4;1H3;1H;/q;;;;;;;;;;;;;-1;;+2/p-1/t14-,25?;;;;;;;;6-;;;;;;;/m1.......1......./s1
InChIKeyDEKHBYQTSQRPSS-UQGWNESWSA-M
XLogP29.22
TPSA599.32 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003133.43
LogP ≤ 529.22
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

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'}

Analyze 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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide with MolForge

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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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide (CID 158717665) 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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide is C.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.CN(C)[C@@H]1CCNC1.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(O)C(F)(F)F)n1.COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(O)C(F)(F)F)n1.Nc1cc(Cl)c(F)cc1Br.Nc1cc(Cl)c(F)cc1C(=O)C(F)(F)F.Nc1ccnc(Cl)n1.[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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide?
The InChIKey is DEKHBYQTSQRPSS-UQGWNESWSA-M. The full InChI is InChI=1S/C26H28ClF4N7O4.C20H15ClF5N5O4.C13H9Cl2F4N3O.C11H12BrClFNO.C9H8ClF4NO.C8H4ClF4NO.C7H7FN2O3.C6H4BrClFN.C6H14N2.C4H4ClN3.3CH4.CH3.BrH.Mg/c1-25(39,26(29,30)31)15-9-17(28)16(27)10-18(15)33-23-5-7-32-24(35-23)34-19-11-21(38(40)41)20(12-22(19)42-4)37-8-6-14(13-37)36(2)3;1-19(32,20(24,25)26)9-5-11(22)10(21)6-13(9)28-17-3-4-27-18(30-17)29-14-8-15(31(33)34)12(23)7-16(14)35-2;1-12(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;1-8(2)6-3-4-7-5-6;5-4-7-2-1-3(6)8-4;;;;;;/h5,7,9-12,14,39H,6,8,13H2,1-4H3,(H2,32,33,34,35);3-8,32H,1-2H3,(H2,27,28,29,30);2-5,23H,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;6-7H,3-5H2,1-2H3;1-2H,(H2,6,7,8);3*1H4;1H3;1H;/q;;;;;;;;;;;;;-1;;+2/p-1/t14-,25?;;;;;;;;6-;;;;;;;/m1.......1......./s1.
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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide has a molecular weight of 3133.43 g/mol, XLogP of 29.22, 25 rotatable bonds, 16 hydrogen bond donors, and 37 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-chloro-2-[[2-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitroanilino]pyrimidin-4-yl]amino]-5-fluorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-chloro-5-fluoro-2-[[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]amino]phenyl]-1,1,1-trifluoropropan-2-ol;2-chloropyrimidin-4-amine;(3R)-N,N-dimethylpyrrolidin-3-amine;4-fluoro-2-methoxy-5-nitroaniline;methane;bromide is sourced from PubChem (CID 158717665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).