N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide

C21H14F6N2O2 — CID 108756043

IUPACN-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C21H14F6N2O2/c22-20(23,24)14-9-13(10-15(11-14)21(25,26)27)19(31)29(12-16-5-3-4-8-28-16)17-6-1-2-7-18(17)30/h1-11,30H,12H2
InChIKeyNBANYDRFXUWVPG-UHFFFAOYSA-N
MW440.34 g/mol
LogP5.67
Rot. Bonds4

About N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide

N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 108756043) has the molecular formula C21H14F6N2O2 and a molecular weight of 440.34 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID108756043
Molecular FormulaC21H14F6N2O2
Molecular Weight440.34 g/mol
Exact Mass440.10
IUPAC NameN-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C21H14F6N2O2/c22-20(23,24)14-9-13(10-15(11-14)21(25,26)27)19(31)29(12-16-5-3-4-8-28-16)17-6-1-2-7-18(17)30/h1-11,30H,12H2
InChIKeyNBANYDRFXUWVPG-UHFFFAOYSA-N
XLogP5.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.34
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755912
2,2,2-trifluoro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 108755903
4-chloro-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755921
N-(2-hydroxyphenyl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 108732451
N-(2-hydroxyphenyl)-3-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 108755925
4-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108755953
3-ethoxy-N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 108732529
4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 108732452
N-propyl-N-(2-pyridin-2-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 60590914
N-(2-hydroxyphenyl)-2,2-diphenyl-N-(pyridin-2-ylmethyl)acetamide
CID 108755915
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764
N-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 12559708

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide (CID 108756043) is N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccn1)c1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is NBANYDRFXUWVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N2O2/c22-20(23,24)14-9-13(10-15(11-14)21(25,26)27)19(31)29(12-16-5-3-4-8-28-16)17-6-1-2-7-18(17)30/h1-11,30H,12H2.
What are the key properties of N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide?
N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 440.34 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 108756043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).