4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide

C25H19FN2O2 — CID 46085589

IUPAC4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1
InChIInChI=1S/C25H19FN2O2/c1-30-22-14-10-17(11-15-22)23-6-3-7-24(28-23)19-4-2-5-21(16-19)27-25(29)18-8-12-20(26)13-9-18/h2-16H,1H3,(H,27,29)
InChIKeyLPTJTSDULLURLS-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.82
Rot. Bonds5

About 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide

4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide (PubChem CID 46085589) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
PubChem CID46085589
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1
InChIInChI=1S/C25H19FN2O2/c1-30-22-14-10-17(11-15-22)23-6-3-7-24(28-23)19-4-2-5-21(16-19)27-25(29)18-8-12-20(26)13-9-18/h2-16H,1H3,(H,27,29)
InChIKeyLPTJTSDULLURLS-UHFFFAOYSA-N
XLogP5.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide (CID 46085589) is 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide is COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The InChIKey is LPTJTSDULLURLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2/c1-30-22-14-10-17(11-15-22)23-6-3-7-24(28-23)19-4-2-5-21(16-19)27-25(29)18-8-12-20(26)13-9-18/h2-16H,1H3,(H,27,29).
What are the key properties of 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide has a molecular weight of 398.44 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 46085589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).