N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

C78H58Cl3F3N8O8 — CID 123741961

About N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (PubChem CID 123741961) has the molecular formula C78H58Cl3F3N8O8 and a molecular weight of 1398.72 g/mol. Its IUPAC name is N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
• PubChem CID: 123741961
• Molecular Formula: C78H58Cl3F3N8O8
• Molecular Weight: 1398.72 g/mol
• Exact Mass: 1396.34
• IUPAC Name: N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
• SMILES: C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1
• InChI: InChI=1S/C20H13ClN2O2.C20H15F3N2O2.2C19H15ClN2O2/c1-2-14-5-3-6-15(9-14)20(24)23-17-7-4-8-18(11-17)25-19-10-16(21)12-22-13-19;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;2*1-13-4-2-5-14(8-13)19(23)22-16-6-3-7-17(10-16)24-18-9-15(20)11-21-12-18/h1,3-13H,(H,23,24);2-12H,1H3,(H,25,26);2*2-12H,1H3,(H,22,23)
• InChIKey: FAPLIIZPWBZZGV-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 204.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1398.72
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?

The IUPAC name of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (CID 123741961) is N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

What is the SMILES notation for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?

The canonical SMILES for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.

What is the InChIKey of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?

The InChIKey is FAPLIIZPWBZZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2.C20H15F3N2O2.2C19H15ClN2O2/c1-2-14-5-3-6-15(9-14)20(24)23-17-7-4-8-18(11-17)25-19-10-16(21)12-22-13-19;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;2*1-13-4-2-5-14(8-13)19(23)22-16-6-3-7-17(10-16)24-18-9-15(20)11-21-12-18/h1,3-13H,(H,23,24);2-12H,1H3,(H,25,26);2*2-12H,1H3,(H,22,23).

What are the key properties of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?

N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 1398.72 g/mol, XLogP of 20.39, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 123741961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).