4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide

C17H14F3NO — CID 57294519

IUPAC4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
SMILESO=C(C=CCc1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)14-9-5-10-15(12-14)21-16(22)11-4-8-13-6-2-1-3-7-13/h1-7,9-12H,8H2,(H,21,22)
InChIKeyCLFCGXSGOPNTKL-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.44
Rot. Bonds4

About 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide

4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide (PubChem CID 57294519) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
PubChem CID57294519
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
SMILESO=C(C=CCc1ccccc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)14-9-5-10-15(12-14)21-16(22)11-4-8-13-6-2-1-3-7-13/h1-7,9-12H,8H2,(H,21,22)
InChIKeyCLFCGXSGOPNTKL-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide 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

(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
N-(2-hydroxy-3-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90534599
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
(E)-N-(3-tert-butylphenyl)pent-2-enamide
CID 142913235
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide?
The IUPAC name of 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide (CID 57294519) is 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide.
What is the SMILES notation for 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide?
The canonical SMILES for 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide is O=C(C=CCc1ccccc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide?
The InChIKey is CLFCGXSGOPNTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)14-9-5-10-15(12-14)21-16(22)11-4-8-13-6-2-1-3-7-13/h1-7,9-12H,8H2,(H,21,22).
What are the key properties of 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide?
4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide has a molecular weight of 305.30 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide is sourced from PubChem (CID 57294519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).