5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

C98H74ClF8N11O9 — CID 123792449

About 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (PubChem CID 123792449) has the molecular formula C98H74ClF8N11O9 and a molecular weight of 1737.17 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
• PubChem CID: 123792449
• Molecular Formula: C98H74ClF8N11O9
• Molecular Weight: 1737.17 g/mol
• Exact Mass: 1735.52
• IUPAC Name: 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
• SMILES: C#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1F.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F
• InChI: InChI=1S/C21H13F3N2O2.C20H15F3N2O2.C20H19N3O.C19H15FN2O2.C18H12ClFN2O2/c1-2-14-5-3-6-15(9-14)20(27)26-17-10-16(21(22,23)24)11-19(12-17)28-18-7-4-8-25-13-18;1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-15-6-3-7-16(12-15)20(24)22-17-8-4-9-18(13-17)23(2)19-10-5-11-21-14-19;1-13-5-2-9-17(18(13)20)19(23)22-14-6-3-7-15(11-14)24-16-8-4-10-21-12-16;19-12-6-7-17(20)16(9-12)18(23)22-13-3-1-4-14(10-13)24-15-5-2-8-21-11-15/h1,3-13H,(H,26,27);2-12H,1H3,(H,25,26);3-14H,1-2H3,(H,22,24);2-12H,1H3,(H,22,23);1-11H,(H,22,23)
• InChIKey: YQGADTJQVWSMPH-UHFFFAOYSA-N
• XLogP: 24.48
• TPSA: 250.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1737.17
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?

The IUPAC name of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (CID 123792449) is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

What is the SMILES notation for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?

The canonical SMILES for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is C#Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1F.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F.

What is the InChIKey of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?

The InChIKey is YQGADTJQVWSMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2.C20H15F3N2O2.C20H19N3O.C19H15FN2O2.C18H12ClFN2O2/c1-2-14-5-3-6-15(9-14)20(27)26-17-10-16(21(22,23)24)11-19(12-17)28-18-7-4-8-25-13-18;1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-15-6-3-7-16(12-15)20(24)22-17-8-4-9-18(13-17)23(2)19-10-5-11-21-14-19;1-13-5-2-9-17(18(13)20)19(23)22-14-6-3-7-15(11-14)24-16-8-4-10-21-12-16;19-12-6-7-17(20)16(9-12)18(23)22-13-3-1-4-14(10-13)24-15-5-2-8-21-11-15/h1,3-13H,(H,26,27);2-12H,1H3,(H,25,26);3-14H,1-2H3,(H,22,24);2-12H,1H3,(H,22,23);1-11H,(H,22,23).

What are the key properties of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?

5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 1737.17 g/mol, XLogP of 24.48, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 123792449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).