N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane

C58H43Cl3F4N8O6 — CID 162015845

About N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane

N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane (PubChem CID 162015845) has the molecular formula C58H43Cl3F4N8O6 and a molecular weight of 1130.38 g/mol. Its IUPAC name is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane.

Molecular Properties

• Compound Name: N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane
• PubChem CID: 162015845
• Molecular Formula: C58H43Cl3F4N8O6
• Molecular Weight: 1130.38 g/mol
• Exact Mass: 1128.23
• IUPAC Name: N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane
• SMILES: C.C#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1
• InChI: InChI=1S/C20H13ClN2O2.C19H13ClF3N3O2.C18H13ClFN3O2.CH4/c1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-19(22,23)17-4-2-3-16(26-17)18(27)25-13-5-11(20)6-14(8-13)28-15-7-12(21)9-24-10-15;1-11-3-2-4-17(22-11)18(24)23-14-5-12(19)6-15(8-14)25-16-7-13(20)9-21-10-16;/h1,3-13H,(H,23,24);2-10H,1H3,(H,25,27);2-10H,1H3,(H,23,24);1H4
• InChIKey: YUCAAABGMUKCHQ-UHFFFAOYSA-N
• XLogP: 15.44
• TPSA: 179.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1130.38
LogP ≤ 5	15.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane?

The IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane (CID 162015845) is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane.

What is the SMILES notation for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane?

The canonical SMILES for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane is C.C#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)n1.

What is the InChIKey of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane?

The InChIKey is YUCAAABGMUKCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2.C19H13ClF3N3O2.C18H13ClFN3O2.CH4/c1-2-14-5-3-6-15(9-14)20(24)23-17-10-16(21)11-19(12-17)25-18-7-4-8-22-13-18;1-19(22,23)17-4-2-3-16(26-17)18(27)25-13-5-11(20)6-14(8-13)28-15-7-12(21)9-24-10-15;1-11-3-2-4-17(22-11)18(24)23-14-5-12(19)6-15(8-14)25-16-7-13(20)9-21-10-16;/h1,3-13H,(H,23,24);2-10H,1H3,(H,25,27);2-10H,1H3,(H,23,24);1H4.

What are the key properties of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane?

N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane has a molecular weight of 1130.38 g/mol, XLogP of 15.44, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-ethynylbenzamide;methane is sourced from PubChem (CID 162015845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).