3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane

C117H92F11IN18O11S — CID 157356230

About 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane

3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane (PubChem CID 157356230) has the molecular formula C117H92F11IN18O11S and a molecular weight of 2294.09 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane
• PubChem CID: 157356230
• Molecular Formula: C117H92F11IN18O11S
• Molecular Weight: 2294.09 g/mol
• Exact Mass: 2292.58
• IUPAC Name: 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane
• SMILES: C.C#Cc1cccc(C(=O)Nc2cc(F)cc(N(CC)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1.CC(F)(F)Oc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1nc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)cs1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1
• InChI: InChI=1S/C22H16F3N3O.C22H18FN3O.C19H14F3N3O3.C19H15IN2O2.C18H14FN3O2.C16H11F3N4O2S.CH4/c1-3-15-6-4-7-16(10-15)21(29)27-18-8-5-9-19(12-18)28(2)20-11-17(13-26-14-20)22(23,24)25;1-3-16-7-5-8-17(11-16)22(27)25-19-12-18(23)13-21(14-19)26(4-2)20-9-6-10-24-15-20;1-19(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;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-12-4-2-6-17(21-12)18(23)22-14-8-13(19)9-16(10-14)24-15-5-3-7-20-11-15;1-16(18,19)15-23-13(7-26-15)14(24)22-10-2-9(17)3-11(4-10)25-12-5-20-8-21-6-12;/h1,4-14H,2H3,(H,27,29);1,5-15H,4H2,2H3,(H,25,27);2-11H,1H3,(H,25,26);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23);2-8H,1H3,(H,22,24);1H4
• InChIKey: BICOIOBKCOFNQV-UHFFFAOYSA-N
• XLogP: 28.24
• TPSA: 356.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.09
LogP ≤ 5	28.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane?

The IUPAC name of 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane (CID 157356230) is 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane.

What is the SMILES notation for 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane?

The canonical SMILES for 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane is C.C#Cc1cccc(C(=O)Nc2cc(F)cc(N(CC)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1.CC(F)(F)Oc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1nc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)cs1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)n1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1.

What is the InChIKey of 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane?

The InChIKey is BICOIOBKCOFNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O.C22H18FN3O.C19H14F3N3O3.C19H15IN2O2.C18H14FN3O2.C16H11F3N4O2S.CH4/c1-3-15-6-4-7-16(10-15)21(29)27-18-8-5-9-19(12-18)28(2)20-11-17(13-26-14-20)22(23,24)25;1-3-16-7-5-8-17(11-16)22(27)25-19-12-18(23)13-21(14-19)26(4-2)20-9-6-10-24-15-20;1-19(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;1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-12-4-2-6-17(21-12)18(23)22-14-8-13(19)9-16(10-14)24-15-5-3-7-20-11-15;1-16(18,19)15-23-13(7-26-15)14(24)22-10-2-9(17)3-11(4-10)25-12-5-20-8-21-6-12;/h1,4-14H,2H3,(H,27,29);1,5-15H,4H2,2H3,(H,25,27);2-11H,1H3,(H,25,26);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23);2-8H,1H3,(H,22,24);1H4.

What are the key properties of 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane?

3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane has a molecular weight of 2294.09 g/mol, XLogP of 28.24, 28 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane is sourced from PubChem (CID 157356230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).