N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide

C17H16F3NO — CID 113091749

IUPACN-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-16(2,13-6-4-3-5-7-13)21-15(22)12-8-10-14(11-9-12)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyJKHBWXGQNIPBTO-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.37
Rot. Bonds3

About N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide

N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 113091749) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID113091749
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
SMILESCC(C)(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-16(2,13-6-4-3-5-7-13)21-15(22)12-8-10-14(11-9-12)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyJKHBWXGQNIPBTO-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-[2-(3-chlorophenyl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 110445853
4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
CID 72568586
2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 132851020
N-(2-phenylpropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 175122328
2-phenylpropan-2-ylcarbamic acid
CID 23445609
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113091743
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
CID 100722444
CID 161391832
CID 161391832
(3R,4S)-N-(2-phenylpropan-2-yl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46214606

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide (CID 113091749) is N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide is CC(C)(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is JKHBWXGQNIPBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-16(2,13-6-4-3-5-7-13)21-15(22)12-8-10-14(11-9-12)17(18,19)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide?
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 307.32 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113091749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).