3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

C97H83F7N12O11 — CID 159708126

IUPAC3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
SMILESC.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ccccn1
InChIInChI=1S/C20H15F3N2O2.C20H16F2N2O2.C19H15F2N3O2.C19H16N2O3.C17H13N3O2.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;1-19(20,21)17-9-3-8-16(24-17)18(25)23-13-5-2-6-14(11-13)26-15-7-4-10-22-12-15;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;21-17(16-8-1-2-10-19-16)20-13-5-3-6-14(11-13)22-15-7-4-9-18-12-15;;/h2-12H,1H3,(H,25,26);2-13H,1H3,(H,24,25);2-12H,1H3,(H,23,25);2-13H,1H3,(H,21,22);1-12H,(H,20,21);2*1H4
InChIKeyMYMFFEZJVSFZDJ-UHFFFAOYSA-N
MW1725.79 g/mol
LogP24.25
Rot. Bonds23

About 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 159708126) has the molecular formula C97H83F7N12O11 and a molecular weight of 1725.79 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
PubChem CID159708126
Molecular FormulaC97H83F7N12O11
Molecular Weight1725.79 g/mol
Exact Mass1724.62
IUPAC Name3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
SMILESC.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ccccn1
InChIInChI=1S/C20H15F3N2O2.C20H16F2N2O2.C19H15F2N3O2.C19H16N2O3.C17H13N3O2.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;1-19(20,21)17-9-3-8-16(24-17)18(25)23-13-5-2-6-14(11-13)26-15-7-4-10-22-12-15;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;21-17(16-8-1-2-10-19-16)20-13-5-3-6-14(11-13)22-15-7-4-9-18-12-15;;/h2-12H,1H3,(H,25,26);2-13H,1H3,(H,24,25);2-12H,1H3,(H,23,25);2-13H,1H3,(H,21,22);1-12H,(H,20,21);2*1H4
InChIKeyMYMFFEZJVSFZDJ-UHFFFAOYSA-N
XLogP24.25
TPSA291.11 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001725.79
LogP ≤ 524.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (CID 159708126) is 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is C.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ccccn1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is MYMFFEZJVSFZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2.C20H16F2N2O2.C19H15F2N3O2.C19H16N2O3.C17H13N3O2.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;1-19(20,21)17-9-3-8-16(24-17)18(25)23-13-5-2-6-14(11-13)26-15-7-4-10-22-12-15;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;21-17(16-8-1-2-10-19-16)20-13-5-3-6-14(11-13)22-15-7-4-9-18-12-15;;/h2-12H,1H3,(H,25,26);2-13H,1H3,(H,24,25);2-12H,1H3,(H,23,25);2-13H,1H3,(H,21,22);1-12H,(H,20,21);2*1H4.
What are the key properties of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 1725.79 g/mol, XLogP of 24.25, 23 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 159708126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).