2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide

C98H89F5N20O7 — CID 157220971

About 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide

2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 157220971) has the molecular formula C98H89F5N20O7 and a molecular weight of 1753.91 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 157220971
• Molecular Formula: C98H89F5N20O7
• Molecular Weight: 1753.91 g/mol
• Exact Mass: 1752.71
• IUPAC Name: 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
• SMILES: COc1ccc(-n2nc(N[C@@H](C)c3ccccc3)nc2NC(=O)c2ccccc2C)cc1.COc1ccc(-n2nc(N[C@H](C)c3ccccc3)nc2NC(=O)c2ccccc2C)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2c(F)cccc2F)nn1-c1ccccc1.Cc1ccccc1C(=O)Nc1nc(N[C@@H](C)c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H22F3N5O.2C25H25N5O2.C23H17F2N5O2/c1-16-8-6-7-11-21(16)22(34)30-24-31-23(29-17(2)18-9-4-3-5-10-18)32-33(24)20-14-12-19(13-15-20)25(26,27)28;2*1-17-9-7-8-12-22(17)23(31)27-25-28-24(26-18(2)19-10-5-4-6-11-19)29-30(25)20-13-15-21(32-3)16-14-20;1-14-8-5-6-11-16(14)20(31)27-23-28-22(29-30(23)15-9-3-2-4-10-15)26-21(32)19-17(24)12-7-13-18(19)25/h3-15,17H,1-2H3,(H2,29,30,31,32,34);2*4-16,18H,1-3H3,(H2,26,27,28,29,31);2-13H,1H3,(H2,26,27,28,29,31,32)/t17-;2*18-;/m010./s1
• InChIKey: ASZHVTHTUPUXIX-SEPGXDFNSA-N
• XLogP: 20.40
• TPSA: 322.89 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1753.91
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide (CID 157220971) is 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide is COc1ccc(-n2nc(N[C@@H](C)c3ccccc3)nc2NC(=O)c2ccccc2C)cc1.COc1ccc(-n2nc(N[C@H](C)c3ccccc3)nc2NC(=O)c2ccccc2C)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2c(F)cccc2F)nn1-c1ccccc1.Cc1ccccc1C(=O)Nc1nc(N[C@@H](C)c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The InChIKey is ASZHVTHTUPUXIX-SEPGXDFNSA-N. The full InChI is InChI=1S/C25H22F3N5O.2C25H25N5O2.C23H17F2N5O2/c1-16-8-6-7-11-21(16)22(34)30-24-31-23(29-17(2)18-9-4-3-5-10-18)32-33(24)20-14-12-19(13-15-20)25(26,27)28;2*1-17-9-7-8-12-22(17)23(31)27-25-28-24(26-18(2)19-10-5-4-6-11-19)29-30(25)20-13-15-21(32-3)16-14-20;1-14-8-5-6-11-16(14)20(31)27-23-28-22(29-30(23)15-9-3-2-4-10-15)26-21(32)19-17(24)12-7-13-18(19)25/h3-15,17H,1-2H3,(H2,29,30,31,32,34);2*4-16,18H,1-3H3,(H2,26,27,28,29,31);2-13H,1H3,(H2,26,27,28,29,31,32)/t17-;2*18-;/m010./s1.

What are the key properties of 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?

2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1753.91 g/mol, XLogP of 20.40, 25 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[(2-methylbenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]benzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[5-[[(1S)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 157220971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).