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

C26H18F4N2O2 — CID 46090637

IUPAC4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(F)cc4C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C26H18F4N2O2/c1-34-20-11-8-16(9-12-20)23-6-3-7-24(32-23)17-4-2-5-19(14-17)31-25(33)21-13-10-18(27)15-22(21)26(28,29)30/h2-15H,1H3,(H,31,33)
InChIKeyAOULTTVOTBJBCT-UHFFFAOYSA-N
MW466.43 g/mol
LogP6.83
Rot. Bonds5

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

4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 46090637) has the molecular formula C26H18F4N2O2 and a molecular weight of 466.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID46090637
Molecular FormulaC26H18F4N2O2
Molecular Weight466.43 g/mol
Exact Mass466.13
IUPAC Name4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(F)cc4C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C26H18F4N2O2/c1-34-20-11-8-16(9-12-20)23-6-3-7-24(32-23)17-4-2-5-19(14-17)31-25(33)21-13-10-18(27)15-22(21)26(28,29)30/h2-15H,1H3,(H,31,33)
InChIKeyAOULTTVOTBJBCT-UHFFFAOYSA-N
XLogP6.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.43
LogP ≤ 56.83
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]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide (CID 46090637) is 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide is COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccc(F)cc4C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is AOULTTVOTBJBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N2O2/c1-34-20-11-8-16(9-12-20)23-6-3-7-24(32-23)17-4-2-5-19(14-17)31-25(33)21-13-10-18(27)15-22(21)26(28,29)30/h2-15H,1H3,(H,31,33).
What are the key properties of 4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide?
4-fluoro-N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 466.43 g/mol, XLogP of 6.83, 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]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 46090637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).