2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

C124H93F25N28O23 — CID 163982036

About 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide

2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (PubChem CID 163982036) has the molecular formula C124H93F25N28O23 and a molecular weight of 2818.23 g/mol. Its IUPAC name is 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
• PubChem CID: 163982036
• Molecular Formula: C124H93F25N28O23
• Molecular Weight: 2818.23 g/mol
• Exact Mass: 2816.66
• IUPAC Name: 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
• SMILES: COc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cc(F)ccc2OC(F)(F)F)n1.COc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cccc(F)c2OC(F)F)n1.COc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cccc3c2OC(F)(F)O3)n1.COc1ccccc1-c1n[nH]c(CNC(=O)c2cc(F)ccc2OC(F)(F)F)n1.COc1ccccc1-c1n[nH]c(CNC(=O)c2cccc3c2OC(F)(F)O3)n1.O=C(NCc1nc(-c2cc(F)ccc2O)n[nH]1)c1ccccc1OC(F)(F)F.O=C(NCc1nc(-c2cc(F)ccc2O)n[nH]1)c1ccccc1OC(F)F
• InChI: InChI=1S/C18H13F5N4O3.2C18H14F4N4O3.C18H13F3N4O4.C18H14F2N4O4.C17H12F4N4O3.C17H13F3N4O3/c1-29-13-4-2-9(19)6-11(13)16-25-15(26-27-16)8-24-17(28)12-7-10(20)3-5-14(12)30-18(21,22)23;1-28-13-6-5-9(19)7-11(13)16-24-14(25-26-16)8-23-17(27)10-3-2-4-12(20)15(10)29-18(21)22;1-28-13-5-3-2-4-11(13)16-24-15(25-26-16)9-23-17(27)12-8-10(19)6-7-14(12)29-18(20,21)22;1-27-12-6-5-9(19)7-11(12)16-23-14(24-25-16)8-22-17(26)10-3-2-4-13-15(10)29-18(20,21)28-13;1-26-12-7-3-2-5-10(12)16-22-14(23-24-16)9-21-17(25)11-6-4-8-13-15(11)28-18(19,20)27-13;18-9-5-6-12(26)11(7-9)15-23-14(24-25-15)8-22-16(27)10-3-1-2-4-13(10)28-17(19,20)21;18-9-5-6-12(25)11(7-9)15-22-14(23-24-15)8-21-16(26)10-3-1-2-4-13(10)27-17(19)20/h2-7H,8H2,1H3,(H,24,28)(H,25,26,27);2-7,18H,8H2,1H3,(H,23,27)(H,24,25,26);2-8H,9H2,1H3,(H,23,27)(H,24,25,26);2-7H,8H2,1H3,(H,22,26)(H,23,24,25);2-8H,9H2,1H3,(H,21,25)(H,22,23,24);1-7,26H,8H2,(H,22,27)(H,23,24,25);1-7,17,25H,8H2,(H,21,26)(H,22,23,24)
• InChIKey: SZGFGTWXQIWPSR-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 664.37 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2818.23
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?

The IUPAC name of 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide (CID 163982036) is 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide.

What is the SMILES notation for 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?

The canonical SMILES for 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is COc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cc(F)ccc2OC(F)(F)F)n1.COc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cccc(F)c2OC(F)F)n1.COc1ccc(F)cc1-c1n[nH]c(CNC(=O)c2cccc3c2OC(F)(F)O3)n1.COc1ccccc1-c1n[nH]c(CNC(=O)c2cc(F)ccc2OC(F)(F)F)n1.COc1ccccc1-c1n[nH]c(CNC(=O)c2cccc3c2OC(F)(F)O3)n1.O=C(NCc1nc(-c2cc(F)ccc2O)n[nH]1)c1ccccc1OC(F)(F)F.O=C(NCc1nc(-c2cc(F)ccc2O)n[nH]1)c1ccccc1OC(F)F.

What is the InChIKey of 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?

The InChIKey is SZGFGTWXQIWPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N4O3.2C18H14F4N4O3.C18H13F3N4O4.C18H14F2N4O4.C17H12F4N4O3.C17H13F3N4O3/c1-29-13-4-2-9(19)6-11(13)16-25-15(26-27-16)8-24-17(28)12-7-10(20)3-5-14(12)30-18(21,22)23;1-28-13-6-5-9(19)7-11(13)16-24-14(25-26-16)8-23-17(27)10-3-2-4-12(20)15(10)29-18(21)22;1-28-13-5-3-2-4-11(13)16-24-15(25-26-16)9-23-17(27)12-8-10(19)6-7-14(12)29-18(20,21)22;1-27-12-6-5-9(19)7-11(12)16-23-14(24-25-16)8-22-17(26)10-3-2-4-13-15(10)29-18(20,21)28-13;1-26-12-7-3-2-5-10(12)16-22-14(23-24-16)9-21-17(25)11-6-4-8-13-15(11)28-18(19,20)27-13;18-9-5-6-12(26)11(7-9)15-23-14(24-25-15)8-22-16(27)10-3-1-2-4-13(10)28-17(19,20)21;18-9-5-6-12(25)11(7-9)15-22-14(23-24-15)8-21-16(26)10-3-1-2-4-13(10)27-17(19)20/h2-7H,8H2,1H3,(H,24,28)(H,25,26,27);2-7,18H,8H2,1H3,(H,23,27)(H,24,25,26);2-8H,9H2,1H3,(H,23,27)(H,24,25,26);2-7H,8H2,1H3,(H,22,26)(H,23,24,25);2-8H,9H2,1H3,(H,21,25)(H,22,23,24);1-7,26H,8H2,(H,22,27)(H,23,24,25);1-7,17,25H,8H2,(H,21,26)(H,22,23,24).

What are the key properties of 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide?

2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 2818.23 g/mol, XLogP of 21.92, 40 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;2-(difluoromethoxy)-3-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2,2-difluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-benzodioxole-4-carboxamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 163982036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).