N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide

C17H16F3NO — CID 2678500

IUPACN-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-11(2)14-8-3-4-9-15(14)21-16(22)12-6-5-7-13(10-12)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyYPCPOUTWCPALCJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP5.08
Rot. Bonds3

About N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide

N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 2678500) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID2678500
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NO/c1-11(2)14-8-3-4-9-15(14)21-16(22)12-6-5-7-13(10-12)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyYPCPOUTWCPALCJ-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(trifluoromethyl)benzoate
CID 7506590
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 175308603
3-ethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 799138

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide (CID 2678500) is N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide is CC(C)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is YPCPOUTWCPALCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-11(2)14-8-3-4-9-15(14)21-16(22)12-6-5-7-13(10-12)17(18,19)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 307.32 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2678500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).