N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide

C99H75Cl2F3IN11O10 — CID 157264755

About N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 157264755) has the molecular formula C99H75Cl2F3IN11O10 and a molecular weight of 1833.56 g/mol. Its IUPAC name is N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 157264755
• Molecular Formula: C99H75Cl2F3IN11O10
• Molecular Weight: 1833.56 g/mol
• Exact Mass: 1831.41
• IUPAC Name: N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
• SMILES: C#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3ccc(C)nc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C21H15ClN2O2.C20H15F3N2O2.C20H15N3O2.C19H15ClN2O2.C19H15IN2O2/c1-3-15-5-4-6-16(9-15)21(25)24-18-10-17(22)11-20(12-18)26-19-8-7-14(2)23-13-19;1-13-4-2-5-14(8-13)19(26)25-16-9-15(20(21,22)23)10-18(11-16)27-17-6-3-7-24-12-17;1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;2*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/h1,4-13H,2H3,(H,24,25);2-12H,1H3,(H,25,26);2-11,13H,1H3,(H,23,24);2*2-12H,1H3,(H,22,23)
• InChIKey: AXWGKVSMCAYFSA-UHFFFAOYSA-N
• XLogP: 24.96
• TPSA: 279.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1833.56
LogP ≤ 5	24.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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 N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (CID 157264755) is N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is C#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3ccc(C)nc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.

What is the InChIKey of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?

The InChIKey is AXWGKVSMCAYFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2.C20H15F3N2O2.C20H15N3O2.C19H15ClN2O2.C19H15IN2O2/c1-3-15-5-4-6-16(9-15)21(25)24-18-10-17(22)11-20(12-18)26-19-8-7-14(2)23-13-19;1-13-4-2-5-14(8-13)19(26)25-16-9-15(20(21,22)23)10-18(11-16)27-17-6-3-7-24-12-17;1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;2*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/h1,4-13H,2H3,(H,24,25);2-12H,1H3,(H,25,26);2-11,13H,1H3,(H,23,24);2*2-12H,1H3,(H,22,23).

What are the key properties of N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?

N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1833.56 g/mol, XLogP of 24.96, 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-[(6-methyl-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 157264755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).