2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide

C17H16F3NO — CID 2890716

IUPAC2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-2-15(12-7-4-3-5-8-12)16(22)21-14-10-6-9-13(11-14)17(18,19)20/h3-11,15H,2H2,1H3,(H,21,22)
InChIKeyBWAFLODPHBKWPC-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.84
Rot. Bonds4

About 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide

2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 2890716) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID2890716
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO/c1-2-15(12-7-4-3-5-8-12)16(22)21-14-10-6-9-13(11-14)17(18,19)20/h3-11,15H,2H2,1H3,(H,21,22)
InChIKeyBWAFLODPHBKWPC-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide (CID 2890716) is 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide is CCC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is BWAFLODPHBKWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-2-15(12-7-4-3-5-8-12)16(22)21-14-10-6-9-13(11-14)17(18,19)20/h3-11,15H,2H2,1H3,(H,21,22).
What are the key properties of 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide?
2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 307.32 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 2890716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).