3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

C96H72F8N12O10 — CID 157071761

About 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (PubChem CID 157071761) has the molecular formula C96H72F8N12O10 and a molecular weight of 1705.69 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
• PubChem CID: 157071761
• Molecular Formula: C96H72F8N12O10
• Molecular Weight: 1705.69 g/mol
• Exact Mass: 1704.54
• IUPAC Name: 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
• SMILES: C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(F)c3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(F)c3)c2)c1
• InChI: InChI=1S/C20H16F2N2O2.C20H13FN2O2.C19H14F3N3O2.C19H15FN2O2.C18H14FN3O2/c1-20(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;1-2-14-5-3-6-15(9-14)20(24)23-17-7-4-8-18(11-17)25-19-10-16(21)12-22-13-19;1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;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;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17/h2-13H,1H3,(H,24,25);1,3-13H,(H,23,24);2-11H,1H3,(H,25,26);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23)
• InChIKey: ACMZKBIRHDPFEB-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 281.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.69
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?

The IUPAC name of 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (CID 157071761) is 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

What is the SMILES notation for 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?

The canonical SMILES for 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(F)c3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(F)c3)c2)c1.

What is the InChIKey of 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?

The InChIKey is ACMZKBIRHDPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2.C20H13FN2O2.C19H14F3N3O2.C19H15FN2O2.C18H14FN3O2/c1-20(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;1-2-14-5-3-6-15(9-14)20(24)23-17-7-4-8-18(11-17)25-19-10-16(21)12-22-13-19;1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;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;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17/h2-13H,1H3,(H,24,25);1,3-13H,(H,23,24);2-11H,1H3,(H,25,26);2-12H,1H3,(H,22,23);2-11H,1H3,(H,22,23).

What are the key properties of 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?

3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide has a molecular weight of 1705.69 g/mol, XLogP of 22.80, 22 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 157071761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).