2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

C131H122F14N28O19S — CID 163534664

IUPAC2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCOc1ccc(C)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.COc1c(C)cccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.COc1ccc(C)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.Cc1ccc(O)c(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1.Cc1cccc(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1O.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCC(F)(F)CC1.O=C(NCc1nc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C20H20F2N4O3.C20H20F2N4OS.2C19H18F2N4O3.2C18H16F2N4O3.C17H14F2N4O3/c1-3-28-15-9-8-12(2)10-14(15)18-24-17(25-26-18)11-23-19(27)13-6-4-5-7-16(13)29-20(21)22;21-20(22)7-9-26(10-8-20)17-5-2-1-4-15(17)19(27)23-13-14-12-16(25-24-14)18-6-3-11-28-18;1-11-6-5-8-13(16(11)27-2)17-23-15(24-25-17)10-22-18(26)12-7-3-4-9-14(12)28-19(20)21;1-11-7-8-14(27-2)13(9-11)17-23-16(24-25-17)10-22-18(26)12-5-3-4-6-15(12)28-19(20)21;1-10-5-4-7-12(15(10)25)16-22-14(23-24-16)9-21-17(26)11-6-2-3-8-13(11)27-18(19)20;1-10-6-7-13(25)12(8-10)16-22-15(23-24-16)9-21-17(26)11-4-2-3-5-14(11)27-18(19)20;18-17(19)26-13-8-4-2-6-11(13)16(25)20-9-14-21-15(23-22-14)10-5-1-3-7-12(10)24/h4-10,20H,3,11H2,1-2H3,(H,23,27)(H,24,25,26);1-6,11-12H,7-10,13H2,(H,23,27)(H,24,25);2*3-9,19H,10H2,1-2H3,(H,22,26)(H,23,24,25);2*2-8,18,25H,9H2,1H3,(H,21,26)(H,22,23,24);1-8,17,24H,9H2,(H,20,25)(H,21,22,23)
InChIKeyDVXXKCJXNMOEJP-UHFFFAOYSA-N
MW2690.63 g/mol
LogP23.40
Rot. Bonds45

About 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 163534664) has the molecular formula C131H122F14N28O19S and a molecular weight of 2690.63 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID163534664
Molecular FormulaC131H122F14N28O19S
Molecular Weight2690.63 g/mol
Exact Mass2688.89
IUPAC Name2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCOc1ccc(C)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.COc1c(C)cccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.COc1ccc(C)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.Cc1ccc(O)c(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1.Cc1cccc(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1O.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCC(F)(F)CC1.O=C(NCc1nc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C20H20F2N4O3.C20H20F2N4OS.2C19H18F2N4O3.2C18H16F2N4O3.C17H14F2N4O3/c1-3-28-15-9-8-12(2)10-14(15)18-24-17(25-26-18)11-23-19(27)13-6-4-5-7-16(13)29-20(21)22;21-20(22)7-9-26(10-8-20)17-5-2-1-4-15(17)19(27)23-13-14-12-16(25-24-14)18-6-3-11-28-18;1-11-6-5-8-13(16(11)27-2)17-23-15(24-25-17)10-22-18(26)12-7-3-4-9-14(12)28-19(20)21;1-11-7-8-14(27-2)13(9-11)17-23-16(24-25-17)10-22-18(26)12-5-3-4-6-15(12)28-19(20)21;1-10-5-4-7-12(15(10)25)16-22-14(23-24-16)9-21-17(26)11-6-2-3-8-13(11)27-18(19)20;1-10-6-7-13(25)12(8-10)16-22-15(23-24-16)9-21-17(26)11-4-2-3-5-14(11)27-18(19)20;18-17(19)26-13-8-4-2-6-11(13)16(25)20-9-14-21-15(23-22-14)10-5-1-3-7-12(10)24/h4-10,20H,3,11H2,1-2H3,(H,23,27)(H,24,25,26);1-6,11-12H,7-10,13H2,(H,23,27)(H,24,25);2*3-9,19H,10H2,1-2H3,(H,22,26)(H,23,24,25);2*2-8,18,25H,9H2,1H3,(H,21,26)(H,22,23,24);1-8,17,24H,9H2,(H,20,25)(H,21,22,23)
InChIKeyDVXXKCJXNMOEJP-UHFFFAOYSA-N
XLogP23.40
TPSA628.80 Ų
H-Bond Donors17
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002690.63
LogP ≤ 523.40
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1034

Analyze 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide with MolForge

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Related Compounds

bis(N-[[3-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide;bis(N-[[3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);bis(N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide);N-[[3-(2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
CID 163547226
2-(azepan-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide;2-(3,3-difluoropyrrolidin-1-yl)-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;5-fluoro-N-[[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide;N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;N-[[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide;N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 163556470
2-(3,3-difluoroazetidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;3-(3,3-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;3-(3,3-difluoropyrrolidin-1-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide;N-[[3-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide;5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide;5-fluoro-N-[[3-(5-methyl-2-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 163905182
2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-fluorophenyl)-1H-pyrazol-5-yl]methyl]benzamide;2-(3,3-difluoropiperidin-1-yl)-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(3,3-difluoropyrrolidin-1-yl)-5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]benzamide;5-fluoro-N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-pyrrolidin-1-ylbenzamide;N-[[3-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 164023301

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (CID 163534664) is 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is CCOc1ccc(C)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.COc1c(C)cccc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.COc1ccc(C)cc1-c1n[nH]c(CNC(=O)c2ccccc2OC(F)F)n1.Cc1ccc(O)c(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1.Cc1cccc(-c2n[nH]c(CNC(=O)c3ccccc3OC(F)F)n2)c1O.O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1N1CCC(F)(F)CC1.O=C(NCc1nc(-c2ccccc2O)n[nH]1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is DVXXKCJXNMOEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3.C20H20F2N4OS.2C19H18F2N4O3.2C18H16F2N4O3.C17H14F2N4O3/c1-3-28-15-9-8-12(2)10-14(15)18-24-17(25-26-18)11-23-19(27)13-6-4-5-7-16(13)29-20(21)22;21-20(22)7-9-26(10-8-20)17-5-2-1-4-15(17)19(27)23-13-14-12-16(25-24-14)18-6-3-11-28-18;1-11-6-5-8-13(16(11)27-2)17-23-15(24-25-17)10-22-18(26)12-7-3-4-9-14(12)28-19(20)21;1-11-7-8-14(27-2)13(9-11)17-23-16(24-25-17)10-22-18(26)12-5-3-4-6-15(12)28-19(20)21;1-10-5-4-7-12(15(10)25)16-22-14(23-24-16)9-21-17(26)11-6-2-3-8-13(11)27-18(19)20;1-10-6-7-13(25)12(8-10)16-22-15(23-24-16)9-21-17(26)11-4-2-3-5-14(11)27-18(19)20;18-17(19)26-13-8-4-2-6-11(13)16(25)20-9-14-21-15(23-22-14)10-5-1-3-7-12(10)24/h4-10,20H,3,11H2,1-2H3,(H,23,27)(H,24,25,26);1-6,11-12H,7-10,13H2,(H,23,27)(H,24,25);2*3-9,19H,10H2,1-2H3,(H,22,26)(H,23,24,25);2*2-8,18,25H,9H2,1H3,(H,21,26)(H,22,23,24);1-8,17,24H,9H2,(H,20,25)(H,21,22,23).
What are the key properties of 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 2690.63 g/mol, XLogP of 23.40, 45 rotatable bonds, 17 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[3-(2-ethoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(difluoromethoxy)-N-[[3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide;2-(4,4-difluoropiperidin-1-yl)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 163534664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).