3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide

C20H12F4N4O4 — CID 88942827

About 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide

3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide (PubChem CID 88942827) has the molecular formula C20H12F4N4O4 and a molecular weight of 448.33 g/mol. Its IUPAC name is 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide
• PubChem CID: 88942827
• Molecular Formula: C20H12F4N4O4
• Molecular Weight: 448.33 g/mol
• Exact Mass: 448.08
• IUPAC Name: 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide
• SMILES: O=C(Nc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OCF)c1
• InChI: InChI=1S/C20H12F4N4O4/c21-8-31-10-3-1-2-9(6-10)19(29)26-11-7-13(15(23)16(24)14(11)22)32-12-4-5-25-18-17(12)27-20(30)28-18/h1-7H,8H2,(H,26,29)(H2,25,27,28,30)
• InChIKey: VQTUENCRGWZWJW-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 109.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.33
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide?

The IUPAC name of 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide (CID 88942827) is 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide.

What is the SMILES notation for 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide?

The canonical SMILES for 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide is O=C(Nc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OCF)c1.

What is the InChIKey of 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide?

The InChIKey is VQTUENCRGWZWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O4/c21-8-31-10-3-1-2-9(6-10)19(29)26-11-7-13(15(23)16(24)14(11)22)32-12-4-5-25-18-17(12)27-20(30)28-18/h1-7H,8H2,(H,26,29)(H2,25,27,28,30).

What are the key properties of 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide?

3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide has a molecular weight of 448.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 88942827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).