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

C26H19F3N2O2 — CID 24720455

IUPACN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C26H19F3N2O2/c1-33-20-14-12-17(13-15-20)23-10-5-11-24(31-23)18-6-4-7-19(16-18)30-25(32)21-8-2-3-9-22(21)26(27,28)29/h2-16H,1H3,(H,30,32)
InChIKeyGYVDYQUECNTCDS-UHFFFAOYSA-N
MW448.44 g/mol
LogP6.70
Rot. Bonds5

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

N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 24720455) has the molecular formula C26H19F3N2O2 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide
PubChem CID24720455
Molecular FormulaC26H19F3N2O2
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC NameN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C26H19F3N2O2/c1-33-20-14-12-17(13-15-20)23-10-5-11-24(31-23)18-6-4-7-19(16-18)30-25(32)21-8-2-3-9-22(21)26(27,28)29/h2-16H,1H3,(H,30,32)
InChIKeyGYVDYQUECNTCDS-UHFFFAOYSA-N
XLogP6.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide (CID 24720455) is N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide is COc1ccc(-c2cccc(-c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)n2)cc1.
What is the InChIKey of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is GYVDYQUECNTCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2/c1-33-20-14-12-17(13-15-20)23-10-5-11-24(31-23)18-6-4-7-19(16-18)30-25(32)21-8-2-3-9-22(21)26(27,28)29/h2-16H,1H3,(H,30,32).
What are the key properties of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide?
N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 448.44 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 24720455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).