bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide

C143H120Br3Cl11F8N48O24 — CID 163796785

IUPACbis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
SMILESCC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1ncc(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1ncc(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1ncc(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/2C12H10BrClN4O2.C12H10BrFN4O2.2C12H10Cl2N4O2.3C12H10ClFN4O2.2C12H11ClN4O2.C12H10F2N4O2.C11H8F2N4O2/c3*1-6-3-4-9(8(14)5-6)15-12(20)10-11(13)17-18(16-10)7(2)19;2*1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;1-6-3-4-9(8(14)5-6)15-12(20)10-11(13)17-18(16-10)7(2)19;2*1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;2*1-7-3-4-10(9(13)5-7)15-12(19)11-6-14-17(16-11)8(2)18;1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;1-6(18)17-14-5-10(16-17)11(19)15-9-3-2-7(12)4-8(9)13/h8*3-5H,1-2H3,(H,15,20);2*3-6H,1-2H3,(H,15,19);3-5H,1-2H3,(H,15,20);2-5H,1H3,(H,15,19)
InChIKeyNBMNSTSCAUSSNW-UHFFFAOYSA-N
MW3676.52 g/mol
LogP28.27
Rot. Bonds24

About bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide

bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide (PubChem CID 163796785) has the molecular formula C143H120Br3Cl11F8N48O24 and a molecular weight of 3676.52 g/mol. Its IUPAC name is bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Namebis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
PubChem CID163796785
Molecular FormulaC143H120Br3Cl11F8N48O24
Molecular Weight3676.52 g/mol
Exact Mass3666.36
IUPAC Namebis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
SMILESCC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1ncc(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1ncc(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1ncc(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/2C12H10BrClN4O2.C12H10BrFN4O2.2C12H10Cl2N4O2.3C12H10ClFN4O2.2C12H11ClN4O2.C12H10F2N4O2.C11H8F2N4O2/c3*1-6-3-4-9(8(14)5-6)15-12(20)10-11(13)17-18(16-10)7(2)19;2*1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;1-6-3-4-9(8(14)5-6)15-12(20)10-11(13)17-18(16-10)7(2)19;2*1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;2*1-7-3-4-10(9(13)5-7)15-12(19)11-6-14-17(16-11)8(2)18;1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;1-6(18)17-14-5-10(16-17)11(19)15-9-3-2-7(12)4-8(9)13/h8*3-5H,1-2H3,(H,15,20);2*3-6H,1-2H3,(H,15,19);3-5H,1-2H3,(H,15,20);2-5H,1H3,(H,15,19)
InChIKeyNBMNSTSCAUSSNW-UHFFFAOYSA-N
XLogP28.27
TPSA922.56 Ų
H-Bond Donors12
H-Bond Acceptors60
Rotatable Bonds24
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003676.52
LogP ≤ 528.27
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1060

Analyze bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide with MolForge

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Related Compounds

Bis([4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;bis([4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid
CID 157084739
bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 157968251
1-[4-[(2-Chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]ethyl dihydrogen phosphate;[4-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]methyl dihydrogen phosphate;1-[4-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]ethyl dihydrogen phosphate;[4-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate
CID 159197035
bis(N-(2-chloro-4-methylphenyl)-5-fluoro-2-methylsulfonyltriazole-4-carboxamide);bis(N-(2-chloro-4-methylphenyl)-2-methylsulfonyltriazole-4-carboxamide);5-fluoro-N-(2-fluoro-4-methylphenyl)-2-methylsulfonyltriazole-4-carboxamide;N-(2-fluoro-4-methylphenyl)-2-methylsulfonyltriazole-4-carboxamide
CID 159531043
bis(5-bromo-N-(2-chloro-4-methylphenyl)-2-methylsulfonyltriazole-4-carboxamide);5-bromo-N-(2-fluoro-4-methylphenyl)-2-methylsulfonyltriazole-4-carboxamide;bis(5-chloro-N-(2-chloro-4-methylphenyl)-2-methylsulfonyltriazole-4-carboxamide);5-chloro-N-(2-fluoro-4-methylphenyl)-2-methylsulfonyltriazole-4-carboxamide
CID 159992398
Bis([4-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]phosphonic acid);bis([4-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid);[4-fluoro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid;[4-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]phosphonic acid
CID 160904976
Bis(4-[4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid);4-[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid;bis(4-[4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid);4-[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid
CID 161051714
1-[4-Bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]ethyl dihydrogen phosphate;[4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate;1-[4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]ethyl dihydrogen phosphate;[4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate
CID 161268043
bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;2-acetyl-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 161890271
Bis(4-[4-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]-4-oxobutanoic acid);bis(4-[4-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid);4-[4-fluoro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid;4-[4-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid
CID 161943721
Bis(4-[4-bromo-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid);4-[4-bromo-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid;bis(4-[4-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid);4-[4-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid;bis(4-[4-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]-4-oxobutanoic acid);bis(4-[4-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid);4-[4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid;4-[4-fluoro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]-4-oxobutanoic acid
CID 163499673
1-[4-[(2-Chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]ethyl dihydrogen phosphate;[4-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]methyl dihydrogen phosphate;1-[4-fluoro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]ethyl dihydrogen phosphate;[4-fluoro-5-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate;1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]ethyl dihydrogen phosphate;[4-[(2-fluoro-4-methylphenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate;methane
CID 163554256

Frequently Asked Questions

What is the IUPAC name of bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide?
The IUPAC name of bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide (CID 163796785) is bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide is CC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Br)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(Cl)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1nc(F)c(C(=O)Nc2ccc(C)cc2F)n1.CC(=O)n1ncc(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1ncc(C(=O)Nc2ccc(C)cc2Cl)n1.CC(=O)n1ncc(C(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide?
The InChIKey is NBMNSTSCAUSSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10BrClN4O2.C12H10BrFN4O2.2C12H10Cl2N4O2.3C12H10ClFN4O2.2C12H11ClN4O2.C12H10F2N4O2.C11H8F2N4O2/c3*1-6-3-4-9(8(14)5-6)15-12(20)10-11(13)17-18(16-10)7(2)19;2*1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;1-6-3-4-9(8(14)5-6)15-12(20)10-11(13)17-18(16-10)7(2)19;2*1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;2*1-7-3-4-10(9(13)5-7)15-12(19)11-6-14-17(16-11)8(2)18;1-6-3-4-9(8(13)5-6)15-12(20)10-11(14)17-18(16-10)7(2)19;1-6(18)17-14-5-10(16-17)11(19)15-9-3-2-7(12)4-8(9)13/h8*3-5H,1-2H3,(H,15,20);2*3-6H,1-2H3,(H,15,19);3-5H,1-2H3,(H,15,20);2-5H,1H3,(H,15,19).
What are the key properties of bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide?
bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide has a molecular weight of 3676.52 g/mol, XLogP of 28.27, 24 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-N-(2-chloro-4-methylphenyl)-5-fluorotriazole-4-carboxamide);bis(2-acetyl-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-N-(2,4-difluorophenyl)triazole-4-carboxamide;2-acetyl-5-fluoro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 163796785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).