2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide

C15H13F3N2O — CID 126655093

IUPAC2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCCc1c(C(N)=O)cccc1-c1cccnc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c1-2-9-10(5-3-6-12(9)14(19)21)11-7-4-8-20-13(11)15(16,17)18/h3-8H,2H2,1H3,(H2,19,21)
InChIKeyBVERUICUBDWFDY-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.43
Rot. Bonds3

About 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide

2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 126655093) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID126655093
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCCc1c(C(N)=O)cccc1-c1cccnc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c1-2-9-10(5-3-6-12(9)14(19)21)11-7-4-8-20-13(11)15(16,17)18/h3-8H,2H2,1H3,(H2,19,21)
InChIKeyBVERUICUBDWFDY-UHFFFAOYSA-N
XLogP3.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
2-ethyl-3-pyrimidin-5-ylbenzamide
CID 166652738
2,3-diethylbenzamide;hydrofluoride
CID 175203586
2-(trifluoromethyl)pyridine-3-carbohydrazide
CID 67037194
3-(3,5-dimethoxyphenyl)-2-ethylbenzamide
CID 68986880
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
butane;(3Z)-4-[2-(trifluoromethyl)-3-pyridinyl]buta-1,3-diene-1,1,4-triamine
CID 168913039
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxamide
CID 131093566
(3-carbamoylphenyl)methyl 2-(trifluoromethyl)pyridine-3-carboxylate
CID 86806491
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
4-amino-2-ethyl-3-(trifluoromethyl)benzamide
CID 174774948

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide (CID 126655093) is 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide is CCc1c(C(N)=O)cccc1-c1cccnc1C(F)(F)F.
What is the InChIKey of 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is BVERUICUBDWFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-2-9-10(5-3-6-12(9)14(19)21)11-7-4-8-20-13(11)15(16,17)18/h3-8H,2H2,1H3,(H2,19,21).
What are the key properties of 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide?
2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 294.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 126655093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).