(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide

C17H12F3NO3 — CID 19972048

IUPAC(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide
SMILESO=C(/C=C/C(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F3NO3/c18-17(19,20)24-14-8-6-13(7-9-14)21-16(23)11-10-15(22)12-4-2-1-3-5-12/h1-11H,(H,21,23)/b11-10+
InChIKeyYJDPJUNHOQUUBO-ZHACJKMWSA-N
MW335.28 g/mol
LogP3.96
Rot. Bonds5

About (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide

(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide (PubChem CID 19972048) has the molecular formula C17H12F3NO3 and a molecular weight of 335.28 g/mol. Its IUPAC name is (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide
PubChem CID19972048
Molecular FormulaC17H12F3NO3
Molecular Weight335.28 g/mol
Exact Mass335.08
IUPAC Name(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide
SMILESO=C(/C=C/C(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F3NO3/c18-17(19,20)24-14-8-6-13(7-9-14)21-16(23)11-10-15(22)12-4-2-1-3-5-12/h1-11H,(H,21,23)/b11-10+
InChIKeyYJDPJUNHOQUUBO-ZHACJKMWSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)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-oxo-4-[4-(trifluoromethoxy)anilino]but-2-enoic acid
CID 676843
3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
1-(4-phenylphenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
CID 4693388
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678296
N-[4-(trifluoromethoxy)phenyl]hexa-2,5-dienamide
CID 142643908
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678287
N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 8024166

Frequently Asked Questions

What is the IUPAC name of (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide?
The IUPAC name of (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide (CID 19972048) is (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide.
What is the SMILES notation for (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide?
The canonical SMILES for (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide is O=C(/C=C/C(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide?
The InChIKey is YJDPJUNHOQUUBO-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H12F3NO3/c18-17(19,20)24-14-8-6-13(7-9-14)21-16(23)11-10-15(22)12-4-2-1-3-5-12/h1-11H,(H,21,23)/b11-10+.
What are the key properties of (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide?
(E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide has a molecular weight of 335.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxo-4-phenyl-N-[4-(trifluoromethoxy)phenyl]but-2-enamide is sourced from PubChem (CID 19972048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).