2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide

C16H14F2N2O3 — CID 84594829

IUPAC2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(OC2CCOC2)c1)c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O3/c17-10-1-2-14(18)13(7-10)16(21)20-11-3-5-19-15(8-11)23-12-4-6-22-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,19,20,21)
InChIKeyWMFVFVWXGXJNIX-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.78
Rot. Bonds4

About 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide

2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide (PubChem CID 84594829) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide
PubChem CID84594829
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(OC2CCOC2)c1)c1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O3/c17-10-1-2-14(18)13(7-10)16(21)20-11-3-5-19-15(8-11)23-12-4-6-22-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,19,20,21)
InChIKeyWMFVFVWXGXJNIX-UHFFFAOYSA-N
XLogP2.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide (CID 84594829) is 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide is O=C(Nc1ccnc(OC2CCOC2)c1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide?
The InChIKey is WMFVFVWXGXJNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-10-1-2-14(18)13(7-10)16(21)20-11-3-5-19-15(8-11)23-12-4-6-22-9-12/h1-3,5,7-8,12H,4,6,9H2,(H,19,20,21).
What are the key properties of 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide?
2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide has a molecular weight of 320.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-(oxolan-3-yloxy)-4-pyridinyl]benzamide is sourced from PubChem (CID 84594829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).