N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide

C15H13F3N2O2 — CID 39559682

IUPACN-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCc1cccnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)22-13-5-3-12(4-6-13)14(21)20-9-7-11-2-1-8-19-10-11/h1-6,8,10H,7,9H2,(H,20,21)
InChIKeyTWKUQPKZKPKUJF-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.95
Rot. Bonds5

About N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide

N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 39559682) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
PubChem CID39559682
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCCc1cccnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)22-13-5-3-12(4-6-13)14(21)20-9-7-11-2-1-8-19-10-11/h1-6,8,10H,7,9H2,(H,20,21)
InChIKeyTWKUQPKZKPKUJF-UHFFFAOYSA-N
XLogP2.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
N-(4-pyridin-3-yloxybut-2-ynyl)-4-(trifluoromethoxy)benzamide
CID 90579041
4-methylsulfonyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 47043794
3-(pyridin-3-ylmethoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 46490817
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 64546842
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
N-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24661254
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
CID 617833
1-methyl-N-(2-pyridin-3-ylethyl)indole-6-carboxamide
CID 112530368

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide (CID 39559682) is N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide is O=C(NCCc1cccnc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is TWKUQPKZKPKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)22-13-5-3-12(4-6-13)14(21)20-9-7-11-2-1-8-19-10-11/h1-6,8,10H,7,9H2,(H,20,21).
What are the key properties of N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide?
N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 310.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 39559682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).