5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide

C13H14F3NO — CID 171361984

IUPAC5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide
SMILESC=Cc1ccc(C(F)(F)F)c(C(=O)NC(C)C)c1
InChIInChI=1S/C13H14F3NO/c1-4-9-5-6-11(13(14,15)16)10(7-9)12(18)17-8(2)3/h4-8H,1H2,2-3H3,(H,17,18)
InChIKeyUFYPVFJQWKMGSU-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.49
Rot. Bonds3

About 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide

5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide (PubChem CID 171361984) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide
PubChem CID171361984
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide
SMILESC=Cc1ccc(C(F)(F)F)c(C(=O)NC(C)C)c1
InChIInChI=1S/C13H14F3NO/c1-4-9-5-6-11(13(14,15)16)10(7-9)12(18)17-8(2)3/h4-8H,1H2,2-3H3,(H,17,18)
InChIKeyUFYPVFJQWKMGSU-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.49
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-ethyl-2-(trifluoromethyl)benzamide
CID 171361983
[5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 171362003
5-ethenyl-2-(trifluoromethyl)phenol
CID 154471401
4-ethenylphthalic acid
CID 90982643
2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid
CID 175190331
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
2-ethenyl-3-methyl-N-propan-2-ylbenzamide
CID 169452425
butyl 2-[[2,5-bis(trifluoromethyl)benzoyl]amino]-3-methylbutanoate
CID 91742056
2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide
CID 155906671
4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
CID 154814881

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide (CID 171361984) is 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide is C=Cc1ccc(C(F)(F)F)c(C(=O)NC(C)C)c1.
What is the InChIKey of 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide?
The InChIKey is UFYPVFJQWKMGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-4-9-5-6-11(13(14,15)16)10(7-9)12(18)17-8(2)3/h4-8H,1H2,2-3H3,(H,17,18).
What are the key properties of 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide?
5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide has a molecular weight of 257.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 171361984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).