N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide

C91H62F14N27O11+ — CID 157372673

IUPACN-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2ccc(N=[N+]=[N-])cc2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccc(N=[N+]=N)c2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccno2)n(-c2ccc(C(F)(F)F)cc2)n1.O=C(Nc1nc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/2C24H17F3N8O3.C22H12F5N5O2.C21H15F3N6O3/c1-14-5-2-3-8-19(14)21(37)30-23-31-22(29-20(36)15-6-4-7-16(13-15)32-34-28)33-35(23)17-9-11-18(12-10-17)38-24(25,26)27;1-14-4-2-3-5-19(14)21(37)30-23-31-22(29-20(36)15-6-8-16(9-7-15)32-34-28)33-35(23)17-10-12-18(13-11-17)38-24(25,26)27;23-14-13(15(24)17(26)18(27)16(14)25)20(34)28-21-30-22(29-19(33)11-7-3-1-4-8-11)32(31-21)12-9-5-2-6-10-12;1-12-4-2-3-5-15(12)17(31)26-19-28-20(27-18(32)16-10-11-25-33-16)30(29-19)14-8-6-13(7-9-14)21(22,23)24/h2-13,28H,1H3,(H-,29,30,31,33,36,37);2-13H,1H3,(H2,29,30,31,33,36,37);1-10H,(H2,28,29,30,31,33,34);2-11H,1H3,(H2,26,27,28,29,31,32)/p+1
InChIKeyBJYHXNNQINHGKZ-UHFFFAOYSA-O
MW1975.65 g/mol
LogP19.64
Rot. Bonds24

About N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide

N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 157372673) has the molecular formula C91H62F14N27O11+ and a molecular weight of 1975.65 g/mol. Its IUPAC name is N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID157372673
Molecular FormulaC91H62F14N27O11+
Molecular Weight1975.65 g/mol
Exact Mass1974.49
IUPAC NameN-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1C(=O)Nc1nc(NC(=O)c2ccc(N=[N+]=[N-])cc2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccc(N=[N+]=N)c2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccno2)n(-c2ccc(C(F)(F)F)cc2)n1.O=C(Nc1nc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/2C24H17F3N8O3.C22H12F5N5O2.C21H15F3N6O3/c1-14-5-2-3-8-19(14)21(37)30-23-31-22(29-20(36)15-6-4-7-16(13-15)32-34-28)33-35(23)17-9-11-18(12-10-17)38-24(25,26)27;1-14-4-2-3-5-19(14)21(37)30-23-31-22(29-20(36)15-6-8-16(9-7-15)32-34-28)33-35(23)17-10-12-18(13-11-17)38-24(25,26)27;23-14-13(15(24)17(26)18(27)16(14)25)20(34)28-21-30-22(29-19(33)11-7-3-1-4-8-11)32(31-21)12-9-5-2-6-10-12;1-12-4-2-3-5-15(12)17(31)26-19-28-20(27-18(32)16-10-11-25-33-16)30(29-19)14-8-6-13(7-9-14)21(22,23)24/h2-13,28H,1H3,(H-,29,30,31,33,36,37);2-13H,1H3,(H2,29,30,31,33,36,37);1-10H,(H2,28,29,30,31,33,34);2-11H,1H3,(H2,26,27,28,29,31,32)/p+1
InChIKeyBJYHXNNQINHGKZ-UHFFFAOYSA-O
XLogP19.64
TPSA499.20 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001975.65
LogP ≤ 519.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
CID 146650361
N-[2-(3-fluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-(3-fluorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;imino-[4-[[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
CID 157236741
N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide
CID 159163495
N-[5-[(3-azidobenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium
CID 159191054
amino-[4-[[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]anilino]azanium;N-[2-(3-fluorophenyl)-5-[(2-methylbenzoyl)amino]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;N-[1-(3-fluorophenyl)-5-(pyridine-3-carbonylamino)-1,2,4-triazol-3-yl]pyridine-3-carboxamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide
CID 159824917
N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide
CID 161172670

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide (CID 157372673) is N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccc(N=[N+]=[N-])cc2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccc(N=[N+]=N)c2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccno2)n(-c2ccc(C(F)(F)F)cc2)n1.O=C(Nc1nc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is BJYHXNNQINHGKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/2C24H17F3N8O3.C22H12F5N5O2.C21H15F3N6O3/c1-14-5-2-3-8-19(14)21(37)30-23-31-22(29-20(36)15-6-4-7-16(13-15)32-34-28)33-35(23)17-9-11-18(12-10-17)38-24(25,26)27;1-14-4-2-3-5-19(14)21(37)30-23-31-22(29-20(36)15-6-8-16(9-7-15)32-34-28)33-35(23)17-10-12-18(13-11-17)38-24(25,26)27;23-14-13(15(24)17(26)18(27)16(14)25)20(34)28-21-30-22(29-19(33)11-7-3-1-4-8-11)32(31-21)12-9-5-2-6-10-12;1-12-4-2-3-5-15(12)17(31)26-19-28-20(27-18(32)16-10-11-25-33-16)30(29-19)14-8-6-13(7-9-14)21(22,23)24/h2-13,28H,1H3,(H-,29,30,31,33,36,37);2-13H,1H3,(H2,29,30,31,33,36,37);1-10H,(H2,28,29,30,31,33,34);2-11H,1H3,(H2,26,27,28,29,31,32)/p+1.
What are the key properties of N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide?
N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 1975.65 g/mol, XLogP of 19.64, 24 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-azidobenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)-2,3,4,5,6-pentafluorobenzamide;imino-[3-[[5-[(2-methylbenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]carbamoyl]phenyl]iminoazanium;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 157372673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).