3-tert-butyl-5-(trifluoromethyl)benzamide

C12H14F3NO — CID 176746545

IUPAC3-tert-butyl-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1cc(C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-11(2,3)8-4-7(10(16)17)5-9(6-8)12(13,14)15/h4-6H,1-3H3,(H2,16,17)
InChIKeyWJPRSQRTZXMPPZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.10
Rot. Bonds1

About 3-tert-butyl-5-(trifluoromethyl)benzamide

3-tert-butyl-5-(trifluoromethyl)benzamide (PubChem CID 176746545) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-tert-butyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-tert-butyl-5-(trifluoromethyl)benzamide
PubChem CID176746545
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-tert-butyl-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1cc(C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-11(2,3)8-4-7(10(16)17)5-9(6-8)12(13,14)15/h4-6H,1-3H3,(H2,16,17)
InChIKeyWJPRSQRTZXMPPZ-UHFFFAOYSA-N
XLogP3.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-5-(trifluoromethyl)benzamide
CID 2775571
3-tert-butyl-5-methylbenzamide
CID 59479391
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]azanium chloride
CID 2736101
3-(difluoromethoxy)-5-(trifluoromethyl)benzamide
CID 175797774
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
CID 89166343
N-tert-butyl-N-chloro-3,5-bis(trifluoromethyl)benzamide
CID 132849037
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
CID 89166264
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
[(2S)-1-amino-1-oxopropan-2-yl] 3,5-bis(trifluoromethyl)benzoate
CID 7796154
sodium 3,5-bis(trifluoromethyl)benzoate
CID 23682278

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-tert-butyl-5-(trifluoromethyl)benzamide (CID 176746545) is 3-tert-butyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-tert-butyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-tert-butyl-5-(trifluoromethyl)benzamide is CC(C)(C)c1cc(C(N)=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-tert-butyl-5-(trifluoromethyl)benzamide?
The InChIKey is WJPRSQRTZXMPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-11(2,3)8-4-7(10(16)17)5-9(6-8)12(13,14)15/h4-6H,1-3H3,(H2,16,17).
What are the key properties of 3-tert-butyl-5-(trifluoromethyl)benzamide?
3-tert-butyl-5-(trifluoromethyl)benzamide has a molecular weight of 245.24 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 176746545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).