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

C99H76ClF5N10O10 — CID 162003803

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

5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide (PubChem CID 162003803) has the molecular formula C99H76ClF5N10O10 and a molecular weight of 1696.20 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-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-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide
• PubChem CID: 162003803
• Molecular Formula: C99H76ClF5N10O10
• Molecular Weight: 1696.20 g/mol
• Exact Mass: 1694.54
• IUPAC Name: 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide
• SMILES: C.C#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F
• InChI: InChI=1S/C21H13F3N2O2.C20H18N2O2.C20H14N2O2.C19H15FN2O2.C18H12ClFN2O2.CH4/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;1-14-5-3-6-16(11-14)20(23)22-17-7-4-8-18(12-17)24-19-10-9-15(2)21-13-19;1-2-15-6-3-7-16(12-15)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-14-19;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;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);3-13H,1-2H3,(H,22,23);1,3-14H,(H,22,23);2-12H,1H3,(H,22,23);1-11H,(H,22,23);1H4
• InChIKey: YSOFRCUZXKSTBJ-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 256.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1696.20
LogP ≤ 5	24.11
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-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-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-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide (CID 162003803) is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-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-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-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-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide is C.C#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(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-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide?

The InChIKey is YSOFRCUZXKSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2.C20H18N2O2.C20H14N2O2.C19H15FN2O2.C18H12ClFN2O2.CH4/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;1-14-5-3-6-16(11-14)20(23)22-17-7-4-8-18(12-17)24-19-10-9-15(2)21-13-19;1-2-15-6-3-7-16(12-15)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-14-19;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;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);3-13H,1-2H3,(H,22,23);1,3-14H,(H,22,23);2-12H,1H3,(H,22,23);1-11H,(H,22,23);1H4.

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

5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide has a molecular weight of 1696.20 g/mol, XLogP of 24.11, 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-yloxyphenyl)benzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide is sourced from PubChem (CID 162003803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).