N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane

C100H79Cl3F5N11O10 — CID 158733438

About N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane

N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane (PubChem CID 158733438) has the molecular formula C100H79Cl3F5N11O10 and a molecular weight of 1796.15 g/mol. Its IUPAC name is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane.

Molecular Properties

• Compound Name: N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane
• PubChem CID: 158733438
• Molecular Formula: C100H79Cl3F5N11O10
• Molecular Weight: 1796.15 g/mol
• Exact Mass: 1793.50
• IUPAC Name: N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane
• SMILES: C.C.C#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C)n3)c2)cn1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1
• InChI: InChI=1S/C21H13F3N2O2.C20H13FN2O2.C19H14ClFN2O2.C19H16ClN3O2.C19H15ClN2O2.2CH4/c1-2-14-5-3-6-15(9-14)20(27)26-17-7-4-8-18(11-17)28-19-10-16(12-25-13-19)21(22,23)24;1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-12-3-2-4-13(5-12)19(24)23-16-6-14(20)7-17(9-16)25-18-8-15(21)10-22-11-18;1-12-6-7-16(11-21-12)25-17-9-14(20)8-15(10-17)23-19(24)18-5-3-4-13(2)22-18;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;;/h1,3-13H,(H,26,27);1,3-13H,(H,23,24);2-11H,1H3,(H,23,24);3-11H,1-2H3,(H,23,24);2-12H,1H3,(H,22,23);2*1H4
• InChIKey: ILJMDUANOGAIIP-UHFFFAOYSA-N
• XLogP: 25.75
• TPSA: 268.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.15
LogP ≤ 5	25.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane?

The IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane (CID 158733438) is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane.

What is the SMILES notation for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane?

The canonical SMILES for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane is C.C.C#Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1ccc(Oc2cc(Cl)cc(NC(=O)c3cccc(C)n3)c2)cn1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1.

What is the InChIKey of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane?

The InChIKey is ILJMDUANOGAIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2.C20H13FN2O2.C19H14ClFN2O2.C19H16ClN3O2.C19H15ClN2O2.2CH4/c1-2-14-5-3-6-15(9-14)20(27)26-17-7-4-8-18(11-17)28-19-10-16(12-25-13-19)21(22,23)24;1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-12-3-2-4-13(5-12)19(24)23-16-6-14(20)7-17(9-16)25-18-8-15(21)10-22-11-18;1-12-6-7-16(11-21-12)25-17-9-14(20)8-15(10-17)23-19(24)18-5-3-4-13(2)22-18;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;;/h1,3-13H,(H,26,27);1,3-13H,(H,23,24);2-11H,1H3,(H,23,24);3-11H,1-2H3,(H,23,24);2-12H,1H3,(H,22,23);2*1H4.

What are the key properties of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane?

N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane has a molecular weight of 1796.15 g/mol, XLogP of 25.75, 20 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;methane is sourced from PubChem (CID 158733438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).