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

C26H21FN2O2 — CID 46091278

IUPAC5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4cc(F)ccc4C)c3)n2)cc1
InChIInChI=1S/C26H21FN2O2/c1-17-9-12-20(27)16-23(17)26(30)28-21-6-3-5-19(15-21)25-8-4-7-24(29-25)18-10-13-22(31-2)14-11-18/h3-16H,1-2H3,(H,28,30)
InChIKeyAPYCVQWZYBQHFC-UHFFFAOYSA-N
MW412.46 g/mol
LogP6.12
Rot. Bonds5

About 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide

5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide (PubChem CID 46091278) has the molecular formula C26H21FN2O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide
PubChem CID46091278
Molecular FormulaC26H21FN2O2
Molecular Weight412.46 g/mol
Exact Mass412.16
IUPAC Name5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4cc(F)ccc4C)c3)n2)cc1
InChIInChI=1S/C26H21FN2O2/c1-17-9-12-20(27)16-23(17)26(30)28-21-6-3-5-19(15-21)25-8-4-7-24(29-25)18-10-13-22(31-2)14-11-18/h3-16H,1-2H3,(H,28,30)
InChIKeyAPYCVQWZYBQHFC-UHFFFAOYSA-N
XLogP6.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide (CID 46091278) is 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide is COc1ccc(-c2cccc(-c3cccc(NC(=O)c4cc(F)ccc4C)c3)n2)cc1.
What is the InChIKey of 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide?
The InChIKey is APYCVQWZYBQHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O2/c1-17-9-12-20(27)16-23(17)26(30)28-21-6-3-5-19(15-21)25-8-4-7-24(29-25)18-10-13-22(31-2)14-11-18/h3-16H,1-2H3,(H,28,30).
What are the key properties of 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide?
5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide has a molecular weight of 412.46 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 46091278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).