5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

C116H87Cl2F3N20O9 — CID 161198907

About 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide

5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 161198907) has the molecular formula C116H87Cl2F3N20O9 and a molecular weight of 2036.02 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
• PubChem CID: 161198907
• Molecular Formula: C116H87Cl2F3N20O9
• Molecular Weight: 2036.02 g/mol
• Exact Mass: 2033.65
• IUPAC Name: 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
• SMILES: C#Cc1cccc(C(=O)Nc2cc(F)cc(N(C)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(CC)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1ccccn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F.[2H]C([2H])([2H])N(c1cncnc1)c1cc(NC(=O)c2cccc(C#C)c2)ccc1Cl
• InChI: InChI=1S/C22H19N3O.C21H16FN3O.C20H15ClN4O.C19H14N4O2.C18H12ClFN2O2.C16H11FN4O2/c1-3-17-8-5-9-18(14-17)22(26)24-19-10-6-11-20(15-19)25(4-2)21-12-7-13-23-16-21;1-3-15-6-4-7-16(10-15)21(26)24-18-11-17(22)12-20(13-18)25(2)19-8-5-9-23-14-19;1-3-14-5-4-6-15(9-14)20(26)24-16-7-8-18(21)19(10-16)25(2)17-11-22-13-23-12-17;1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;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;17-11-5-12(21-16(22)15-3-1-2-4-20-15)7-13(6-11)23-14-8-18-10-19-9-14/h1,5-16H,4H2,2H3,(H,24,26);1,4-14H,2H3,(H,24,26);1,4-13H,2H3,(H,24,26);2-8,10-12H,1H3,(H,23,24);1-11H,(H,22,23);1-10H,(H,21,22)/i;;2D3
• InChIKey: UUSHMPREJQIIQP-RDXGWQOTSA-N
• XLogP: 24.50
• TPSA: 364.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2036.02
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

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;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?

The IUPAC name of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide (CID 161198907) is 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is C#Cc1cccc(C(=O)Nc2cc(F)cc(N(C)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(CC)c3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1ccccn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cc(Cl)ccc1F.[2H]C([2H])([2H])N(c1cncnc1)c1cc(NC(=O)c2cccc(C#C)c2)ccc1Cl.

What is the InChIKey of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?

The InChIKey is UUSHMPREJQIIQP-RDXGWQOTSA-N. The full InChI is InChI=1S/C22H19N3O.C21H16FN3O.C20H15ClN4O.C19H14N4O2.C18H12ClFN2O2.C16H11FN4O2/c1-3-17-8-5-9-18(14-17)22(26)24-19-10-6-11-20(15-19)25(4-2)21-12-7-13-23-16-21;1-3-15-6-4-7-16(10-15)21(26)24-18-11-17(22)12-20(13-18)25(2)19-8-5-9-23-14-19;1-3-14-5-4-6-15(9-14)20(26)24-16-7-8-18(21)19(10-16)25(2)17-11-22-13-23-12-17;1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;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;17-11-5-12(21-16(22)15-3-1-2-4-20-15)7-13(6-11)23-14-8-18-10-19-9-14/h1,5-16H,4H2,2H3,(H,24,26);1,4-14H,2H3,(H,24,26);1,4-13H,2H3,(H,24,26);2-8,10-12H,1H3,(H,23,24);1-11H,(H,22,23);1-10H,(H,21,22)/i;;2D3;;;.

What are the key properties of 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide?

5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 2036.02 g/mol, XLogP of 24.50, 26 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 161198907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).