N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide

C118H97ClF5N27O12 — CID 157120055

IUPACN-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(OC)c3)n(-c3ccccc3)n2)c1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(C(F)(F)F)cc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(F)c(F)c2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccccc2Cl)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ncccn2)n(-c2ccccc2)n1
InChIInChI=1S/C25H20F3N5O2.C24H20ClN5O2.C24H19F2N5O2.C24H21N5O4.C21H17N7O2/c1-15-7-3-5-9-19(15)21(34)29-23-31-24(30-22(35)20-10-6-4-8-16(20)2)33(32-23)18-13-11-17(12-14-18)25(26,27)28;1-15-9-3-5-11-17(15)21(31)26-23-28-24(27-22(32)18-12-6-4-10-16(18)2)30(29-23)20-14-8-7-13-19(20)25;1-14-7-3-5-9-17(14)21(32)27-23-29-24(28-22(33)18-10-6-4-8-15(18)2)31(30-23)16-11-12-19(25)20(26)13-16;1-32-19-12-6-8-16(14-19)21(30)25-23-27-24(29(28-23)18-10-4-3-5-11-18)26-22(31)17-9-7-13-20(15-17)33-2;1-14-8-5-6-11-16(14)18(29)24-20-26-21(25-19(30)17-22-12-7-13-23-17)28(27-20)15-9-3-2-4-10-15/h3-14H,1-2H3,(H2,29,30,31,32,34,35);3-14H,1-2H3,(H2,26,27,28,29,31,32);3-13H,1-2H3,(H2,27,28,29,30,32,33);3-15H,1-2H3,(H2,25,26,27,28,30,31);2-13H,1H3,(H2,24,25,26,27,29,30)
InChIKeyAHVZZLRCYXKBNE-UHFFFAOYSA-N
MW2215.69 g/mol
LogP21.78
Rot. Bonds27

About N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide

N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 157120055) has the molecular formula C118H97ClF5N27O12 and a molecular weight of 2215.69 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID157120055
Molecular FormulaC118H97ClF5N27O12
Molecular Weight2215.69 g/mol
Exact Mass2213.74
IUPAC NameN-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(OC)c3)n(-c3ccccc3)n2)c1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(C(F)(F)F)cc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(F)c(F)c2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccccc2Cl)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ncccn2)n(-c2ccccc2)n1
InChIInChI=1S/C25H20F3N5O2.C24H20ClN5O2.C24H19F2N5O2.C24H21N5O4.C21H17N7O2/c1-15-7-3-5-9-19(15)21(34)29-23-31-24(30-22(35)20-10-6-4-8-16(20)2)33(32-23)18-13-11-17(12-14-18)25(26,27)28;1-15-9-3-5-11-17(15)21(31)26-23-28-24(27-22(32)18-12-6-4-10-16(18)2)30(29-23)20-14-8-7-13-19(20)25;1-14-7-3-5-9-17(14)21(32)27-23-29-24(28-22(33)18-10-6-4-8-15(18)2)31(30-23)16-11-12-19(25)20(26)13-16;1-32-19-12-6-8-16(14-19)21(30)25-23-27-24(29(28-23)18-10-4-3-5-11-18)26-22(31)17-9-7-13-20(15-17)33-2;1-14-8-5-6-11-16(14)18(29)24-20-26-21(25-19(30)17-22-12-7-13-23-17)28(27-20)15-9-3-2-4-10-15/h3-14H,1-2H3,(H2,29,30,31,32,34,35);3-14H,1-2H3,(H2,26,27,28,29,31,32);3-13H,1-2H3,(H2,27,28,29,30,32,33);3-15H,1-2H3,(H2,25,26,27,28,30,31);2-13H,1H3,(H2,24,25,26,27,29,30)
InChIKeyAHVZZLRCYXKBNE-UHFFFAOYSA-N
XLogP21.78
TPSA488.79 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002215.69
LogP ≤ 521.78
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide with MolForge

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Related Compounds

(2R)-1-[2-[5-amino-3-(2-chloroanilino)-1,2,4-triazol-1-yl]-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-2-[[2-[5-amino-3-(4-methoxyanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-1-[2-[5-amino-3-(4-methoxy-2-methylanilino)-1,2,4-triazol-1-yl]-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;molecular hydrogen
CID 159138545
2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 161270471
N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;[3-[[5-[(3-ethynylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]carbamoyl]phenyl]imino-iminoazanium;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide
CID 158618197
CID 158858900
CID 158858900

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide (CID 157120055) is N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide is COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(OC)c3)n(-c3ccccc3)n2)c1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(C(F)(F)F)cc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(F)c(F)c2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccccc2Cl)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ncccn2)n(-c2ccccc2)n1.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is AHVZZLRCYXKBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2.C24H20ClN5O2.C24H19F2N5O2.C24H21N5O4.C21H17N7O2/c1-15-7-3-5-9-19(15)21(34)29-23-31-24(30-22(35)20-10-6-4-8-16(20)2)33(32-23)18-13-11-17(12-14-18)25(26,27)28;1-15-9-3-5-11-17(15)21(31)26-23-28-24(27-22(32)18-12-6-4-10-16(18)2)30(29-23)20-14-8-7-13-19(20)25;1-14-7-3-5-9-17(14)21(32)27-23-29-24(28-22(33)18-10-6-4-8-15(18)2)31(30-23)16-11-12-19(25)20(26)13-16;1-32-19-12-6-8-16(14-19)21(30)25-23-27-24(29(28-23)18-10-4-3-5-11-18)26-22(31)17-9-7-13-20(15-17)33-2;1-14-8-5-6-11-16(14)18(29)24-20-26-21(25-19(30)17-22-12-7-13-23-17)28(27-20)15-9-3-2-4-10-15/h3-14H,1-2H3,(H2,29,30,31,32,34,35);3-14H,1-2H3,(H2,26,27,28,29,31,32);3-13H,1-2H3,(H2,27,28,29,30,32,33);3-15H,1-2H3,(H2,25,26,27,28,30,31);2-13H,1H3,(H2,24,25,26,27,29,30).
What are the key properties of N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?
N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 2215.69 g/mol, XLogP of 21.78, 27 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[1-(3,4-difluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;3-methoxy-N-[5-[(3-methoxybenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-methylbenzoyl)amino]-2-phenyl-1,2,4-triazol-3-yl]pyrimidine-2-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 157120055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).