N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C21H17F3N2O2 — CID 59672678

IUPACN-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccccc1CCO)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)17-9-11-25-19(13-17)15-5-7-16(8-6-15)20(28)26-18-4-2-1-3-14(18)10-12-27/h1-9,11,13,27H,10,12H2,(H,26,28)
InChIKeyMIIUAYCYHRTJBK-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.55
Rot. Bonds5

About N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59672678) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59672678
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccccc1CCO)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)17-9-11-25-19(13-17)15-5-7-16(8-6-15)20(28)26-18-4-2-1-3-14(18)10-12-27/h1-9,11,13,27H,10,12H2,(H,26,28)
InChIKeyMIIUAYCYHRTJBK-UHFFFAOYSA-N
XLogP4.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59672678) is N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1ccccc1CCO)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is MIIUAYCYHRTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-21(23,24)17-9-11-25-19(13-17)15-5-7-16(8-6-15)20(28)26-18-4-2-1-3-14(18)10-12-27/h1-9,11,13,27H,10,12H2,(H,26,28).
What are the key properties of N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 386.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59672678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).