5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide

C12H12F3NO — CID 171361983

IUPAC5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide
SMILESC=Cc1ccc(C(F)(F)F)c(C(=O)NCC)c1
InChIInChI=1S/C12H12F3NO/c1-3-8-5-6-10(12(13,14)15)9(7-8)11(17)16-4-2/h3,5-7H,1,4H2,2H3,(H,16,17)
InChIKeyBDFYGLMHGBKMOV-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.10
Rot. Bonds3

About 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide

5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide (PubChem CID 171361983) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide
PubChem CID171361983
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide
SMILESC=Cc1ccc(C(F)(F)F)c(C(=O)NCC)c1
InChIInChI=1S/C12H12F3NO/c1-3-8-5-6-10(12(13,14)15)9(7-8)11(17)16-4-2/h3,5-7H,1,4H2,2H3,(H,16,17)
InChIKeyBDFYGLMHGBKMOV-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethenyl-N-methyl-2-(trifluoromethyl)benzamide
CID 171361982
5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 171361984
5-ethenyl-N-ethyl-2-methylbenzamide
CID 154815188
5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 146021308
N-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
CID 171921407
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
5-ethenyl-2-(trifluoromethyl)phenol
CID 154471401
[5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 171362003
N-tetradecyl-2,5-bis(trifluoromethyl)benzamide
CID 91737858
N-decyl-5-fluoro-2-(trifluoromethyl)benzamide
CID 91731309
(E)-3-[3-(ethylcarbamoyl)-4-fluorophenyl]prop-2-enoic acid
CID 94231056
4-ethenylphthalic acid
CID 90982643

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide (CID 171361983) is 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide is C=Cc1ccc(C(F)(F)F)c(C(=O)NCC)c1.
What is the InChIKey of 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide?
The InChIKey is BDFYGLMHGBKMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-3-8-5-6-10(12(13,14)15)9(7-8)11(17)16-4-2/h3,5-7H,1,4H2,2H3,(H,16,17).
What are the key properties of 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide?
5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide has a molecular weight of 243.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 171361983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).