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;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

C94H70F10IN15O10S — CID 123862054

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;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

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;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 (PubChem CID 123862054) has the molecular formula C94H70F10IN15O10S and a molecular weight of 1918.64 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;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.

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;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
• PubChem CID: 123862054
• Molecular Formula: C94H70F10IN15O10S
• Molecular Weight: 1918.64 g/mol
• Exact Mass: 1917.40
• 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;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
• SMILES: 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.C19H14F3N3O3.C19H15IN2O2.C18H14FN3O2.C16H11F3N4O2S/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;1-19(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);2-11H,1H3,(H,25,26);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23);2-8H,1H3,(H,22,24)
• InChIKey: NMDXARGZNGNSHC-UHFFFAOYSA-N
• XLogP: 22.99
• TPSA: 310.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.64
LogP ≤ 5	22.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

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;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?

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;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 (CID 123862054) 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;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.

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;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?

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;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 is 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;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?

The InChIKey is NMDXARGZNGNSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O.C19H14F3N3O3.C19H15IN2O2.C18H14FN3O2.C16H11F3N4O2S/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;1-19(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);2-11H,1H3,(H,25,26);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23);2-8H,1H3,(H,22,24).

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;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?

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;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 has a molecular weight of 1918.64 g/mol, XLogP of 22.99, 23 rotatable bonds, 5 hydrogen bond donors, and 21 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;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 is sourced from PubChem (CID 123862054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).