N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide

C21H17F3N2O2 — CID 46652635

IUPACN-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(NCCc1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)16-6-4-9-19(14-16)28-18-8-3-5-15(13-18)20(27)26-12-10-17-7-1-2-11-25-17/h1-9,11,13-14H,10,12H2,(H,26,27)
InChIKeyDMVPLOUHZVVIBT-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.87
Rot. Bonds6

About N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide

N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide (PubChem CID 46652635) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
PubChem CID46652635
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
SMILESO=C(NCCc1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)16-6-4-9-19(14-16)28-18-8-3-5-15(13-18)20(27)26-12-10-17-7-1-2-11-25-17/h1-9,11,13-14H,10,12H2,(H,26,27)
InChIKeyDMVPLOUHZVVIBT-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
CID 27662248
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
3-amino-N-(2-pyridin-2-ylethyl)benzamide
CID 24704285
3-methoxy-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111193916
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
N-(2-quinolin-2-ylethyl)-3-(trifluoromethyl)benzamide
CID 172890631
N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 39898328
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
3-(3-pyridin-2-ylpropanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60601250
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
6-phenoxy-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 87000850

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide (CID 46652635) is N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide is O=C(NCCc1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is DMVPLOUHZVVIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-21(23,24)16-6-4-9-19(14-16)28-18-8-3-5-15(13-18)20(27)26-12-10-17-7-1-2-11-25-17/h1-9,11,13-14H,10,12H2,(H,26,27).
What are the key properties of N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide?
N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 386.37 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 46652635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).