3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide

C23H14Cl2FN3O2 — CID 58103242

IUPAC3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1cccc(-c2cccc(Oc3cc(Cl)cc(Cl)c3)n2)c1
InChIInChI=1S/C23H14Cl2FN3O2/c24-16-10-17(25)12-19(11-16)31-22-6-2-5-20(29-22)14-3-1-4-15(9-14)23(30)28-18-7-8-21(26)27-13-18/h1-13H,(H,28,30)
InChIKeyVQJVAZTXIVWHLA-UHFFFAOYSA-N
MW454.29 g/mol
LogP6.63
Rot. Bonds5

About 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide

3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide (PubChem CID 58103242) has the molecular formula C23H14Cl2FN3O2 and a molecular weight of 454.29 g/mol. Its IUPAC name is 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide
PubChem CID58103242
Molecular FormulaC23H14Cl2FN3O2
Molecular Weight454.29 g/mol
Exact Mass453.04
IUPAC Name3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide
SMILESO=C(Nc1ccc(F)nc1)c1cccc(-c2cccc(Oc3cc(Cl)cc(Cl)c3)n2)c1
InChIInChI=1S/C23H14Cl2FN3O2/c24-16-10-17(25)12-19(11-16)31-22-6-2-5-20(29-22)14-3-1-4-15(9-14)23(30)28-18-7-8-21(26)27-13-18/h1-13H,(H,28,30)
InChIKeyVQJVAZTXIVWHLA-UHFFFAOYSA-N
XLogP6.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.29
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide (CID 58103242) is 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide is O=C(Nc1ccc(F)nc1)c1cccc(-c2cccc(Oc3cc(Cl)cc(Cl)c3)n2)c1.
What is the InChIKey of 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide?
The InChIKey is VQJVAZTXIVWHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2FN3O2/c24-16-10-17(25)12-19(11-16)31-22-6-2-5-20(29-22)14-3-1-4-15(9-14)23(30)28-18-7-8-21(26)27-13-18/h1-13H,(H,28,30).
What are the key properties of 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide?
3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide has a molecular weight of 454.29 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,5-dichlorophenoxy)-2-pyridinyl]-N-(6-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 58103242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).