3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane

C114H80F13N19O15S — CID 161105955

About 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane

3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane (PubChem CID 161105955) has the molecular formula C114H80F13N19O15S and a molecular weight of 2235.05 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane
• PubChem CID: 161105955
• Molecular Formula: C114H80F13N19O15S
• Molecular Weight: 2235.05 g/mol
• Exact Mass: 2233.56
• IUPAC Name: 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane
• SMILES: C.C#Cc1cc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)ccc1F.C#Cc1ccc(F)c(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1F.CC(F)(F)Oc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1F
• InChI: InChI=1S/C19H14F3N3O3.3C19H11F2N3O2.C19H17FN4O4S.C18H12F3N3O2.CH4/c1-19(21,22)28-15-4-2-3-12(5-15)18(26)25-14-6-13(20)7-16(8-14)27-17-9-23-11-24-10-17;1-2-12-5-13(3-4-18(12)21)19(25)24-15-6-14(20)7-16(8-15)26-17-9-22-11-23-10-17;1-2-12-3-4-18(21)17(5-12)19(25)24-14-6-13(20)7-15(8-14)26-16-9-22-11-23-10-16;1-2-12-4-3-5-17(18(12)21)19(25)24-14-6-13(20)7-15(8-14)26-16-9-22-11-23-10-16;1-24(2)29(26,27)18-5-3-4-13(6-18)19(25)23-15-7-14(20)8-16(9-15)28-17-10-21-12-22-11-17;1-10-3-2-4-13(16(10)20)18(25)24-11-5-14(19)17(21)15(6-11)26-12-7-22-9-23-8-12;/h2-11H,1H3,(H,25,26);3*1,3-11H,(H,24,25);3-12H,1-2H3,(H,23,25);2-9H,1H3,(H,24,25);1H4
• InChIKey: UJBAYNLRQUXBQF-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 431.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.05
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane?

The IUPAC name of 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane (CID 161105955) is 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane.

What is the SMILES notation for 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane?

The canonical SMILES for 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane is C.C#Cc1cc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)ccc1F.C#Cc1ccc(F)c(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1F.CC(F)(F)Oc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1F.

What is the InChIKey of 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane?

The InChIKey is UJBAYNLRQUXBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3.3C19H11F2N3O2.C19H17FN4O4S.C18H12F3N3O2.CH4/c1-19(21,22)28-15-4-2-3-12(5-15)18(26)25-14-6-13(20)7-16(8-14)27-17-9-23-11-24-10-17;1-2-12-5-13(3-4-18(12)21)19(25)24-15-6-14(20)7-16(8-15)26-17-9-22-11-23-10-17;1-2-12-3-4-18(21)17(5-12)19(25)24-14-6-13(20)7-15(8-14)26-16-9-22-11-23-10-16;1-2-12-4-3-5-17(18(12)21)19(25)24-14-6-13(20)7-15(8-14)26-16-9-22-11-23-10-16;1-24(2)29(26,27)18-5-3-4-13(6-18)19(25)23-15-7-14(20)8-16(9-15)28-17-10-21-12-22-11-17;1-10-3-2-4-13(16(10)20)18(25)24-11-5-14(19)17(21)15(6-11)26-12-7-22-9-23-8-12;/h2-11H,1H3,(H,25,26);3*1,3-11H,(H,24,25);3-12H,1-2H3,(H,23,25);2-9H,1H3,(H,24,25);1H4.

What are the key properties of 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane?

3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane has a molecular weight of 2235.05 g/mol, XLogP of 23.79, 28 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-2-fluoro-3-methylbenzamide;3-(dimethylsulfamoyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-4-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;methane is sourced from PubChem (CID 161105955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).