lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate

C60H43Br5F15LiN6O12 — CID 159807186

IUPAClithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate
SMILESCCOC(C)=O.O.O=C(Cc1ccc(NC(=O)c2cc(Br)ccc2C(F)(F)F)nc1)c1cc(Br)ccc1C(F)(F)F.O=C(Nc1ccc(O)cn1)c1cc(Br)ccc1C(F)(F)F.O=C(Nc1ccc(O)cn1)c1cc(Br)ccc1C(F)(F)F.O=C(O)c1cc(Br)ccc1C(F)(F)F.[Li+].[OH-]
InChIInChI=1S/C22H12Br2F6N2O2.2C13H8BrF3N2O2.C8H4BrF3O2.C4H8O2.Li.2H2O/c23-12-2-4-16(21(25,26)27)14(8-12)18(33)7-11-1-6-19(31-10-11)32-20(34)15-9-13(24)3-5-17(15)22(28,29)30;2*14-7-1-3-10(13(15,16)17)9(5-7)12(21)19-11-4-2-8(20)6-18-11;9-4-1-2-6(8(10,11)12)5(3-4)7(13)14;1-3-6-4(2)5;;;/h1-6,8-10H,7H2,(H,31,32,34);2*1-6,20H,(H,18,19,21);1-3H,(H,13,14);3H2,1-2H3;;2*1H2/q;;;;;+1;;/p-1
InChIKeyNIFCDIBNNBMKMB-UHFFFAOYSA-M
MW1731.46 g/mol
LogP14.70
Rot. Bonds11

About lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate

lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate (PubChem CID 159807186) has the molecular formula C60H43Br5F15LiN6O12 and a molecular weight of 1731.46 g/mol. Its IUPAC name is lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate
PubChem CID159807186
Molecular FormulaC60H43Br5F15LiN6O12
Molecular Weight1731.46 g/mol
Exact Mass1725.88
IUPAC Namelithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate
SMILESCCOC(C)=O.O.O=C(Cc1ccc(NC(=O)c2cc(Br)ccc2C(F)(F)F)nc1)c1cc(Br)ccc1C(F)(F)F.O=C(Nc1ccc(O)cn1)c1cc(Br)ccc1C(F)(F)F.O=C(Nc1ccc(O)cn1)c1cc(Br)ccc1C(F)(F)F.O=C(O)c1cc(Br)ccc1C(F)(F)F.[Li+].[OH-]
InChIInChI=1S/C22H12Br2F6N2O2.2C13H8BrF3N2O2.C8H4BrF3O2.C4H8O2.Li.2H2O/c23-12-2-4-16(21(25,26)27)14(8-12)18(33)7-11-1-6-19(31-10-11)32-20(34)15-9-13(24)3-5-17(15)22(28,29)30;2*14-7-1-3-10(13(15,16)17)9(5-7)12(21)19-11-4-2-8(20)6-18-11;9-4-1-2-6(8(10,11)12)5(3-4)7(13)14;1-3-6-4(2)5;;;/h1-6,8-10H,7H2,(H,31,32,34);2*1-6,20H,(H,18,19,21);1-3H,(H,13,14);3H2,1-2H3;;2*1H2/q;;;;;+1;;/p-1
InChIKeyNIFCDIBNNBMKMB-UHFFFAOYSA-M
XLogP14.70
TPSA308.60 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001731.46
LogP ≤ 514.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate with MolForge

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Related Compounds

bis(5-[2-[3-(3-amino-3-iminopropanoyl)-5-(trifluoromethyl)phenyl]ethynyl]-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide;tert-butyl 5-[3-ethynyl-5-(trifluoromethyl)phenyl]-3-imino-5-oxopentanoate;N-(5-hydroxy-2-pyridinyl)-5-[2-[3-(3-iminobutanoyl)-5-(trifluoromethyl)phenyl]ethynyl]-2-(trifluoromethyl)benzamide;dihydrochloride
CID 157074846
5-bromo-2-iodobenzoic acid;bis(5-bromo-N-pyridin-2-yl-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;methyl 5-bromo-2-iodobenzoate;methyl 5-bromo-2-(trifluoromethyl)benzoate
CID 161502648
5-[tert-butyl(dimethyl)silyl]oxypyridin-2-amine;N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-phenylbenzamide;N-(5-hydroxy-2-pyridinyl)-2-phenylbenzamide;2-phenylbenzoic acid
CID 159028758

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate?
The IUPAC name of lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate (CID 159807186) is lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate.
What is the SMILES notation for lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate?
The canonical SMILES for lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate is CCOC(C)=O.O.O=C(Cc1ccc(NC(=O)c2cc(Br)ccc2C(F)(F)F)nc1)c1cc(Br)ccc1C(F)(F)F.O=C(Nc1ccc(O)cn1)c1cc(Br)ccc1C(F)(F)F.O=C(Nc1ccc(O)cn1)c1cc(Br)ccc1C(F)(F)F.O=C(O)c1cc(Br)ccc1C(F)(F)F.[Li+].[OH-].
What is the InChIKey of lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate?
The InChIKey is NIFCDIBNNBMKMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H12Br2F6N2O2.2C13H8BrF3N2O2.C8H4BrF3O2.C4H8O2.Li.2H2O/c23-12-2-4-16(21(25,26)27)14(8-12)18(33)7-11-1-6-19(31-10-11)32-20(34)15-9-13(24)3-5-17(15)22(28,29)30;2*14-7-1-3-10(13(15,16)17)9(5-7)12(21)19-11-4-2-8(20)6-18-11;9-4-1-2-6(8(10,11)12)5(3-4)7(13)14;1-3-6-4(2)5;;;/h1-6,8-10H,7H2,(H,31,32,34);2*1-6,20H,(H,18,19,21);1-3H,(H,13,14);3H2,1-2H3;;2*1H2/q;;;;;+1;;/p-1.
What are the key properties of lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate?
lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate has a molecular weight of 1731.46 g/mol, XLogP of 14.70, 11 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-bromo-N-[5-[2-[5-bromo-2-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridinyl]-2-(trifluoromethyl)benzamide;bis(5-bromo-N-(5-hydroxy-2-pyridinyl)-2-(trifluoromethyl)benzamide);5-bromo-2-(trifluoromethyl)benzoic acid;ethyl acetate;hydroxide;hydrate is sourced from PubChem (CID 159807186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).