(E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

C16H11ClF3NO — CID 692588

IUPAC(E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF3NO/c17-13-7-3-1-5-11(13)9-10-15(22)21-14-8-4-2-6-12(14)16(18,19)20/h1-10H,(H,21,22)/b10-9+
InChIKeyJLFXWJQUQAGNEF-MDZDMXLPSA-N
MW325.72 g/mol
LogP5.01
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 692588) has the molecular formula C16H11ClF3NO and a molecular weight of 325.72 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID692588
Molecular FormulaC16H11ClF3NO
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC Name(E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF3NO/c17-13-7-3-1-5-11(13)9-10-15(22)21-14-8-4-2-6-12(14)16(18,19)20/h1-10H,(H,21,22)/b10-9+
InChIKeyJLFXWJQUQAGNEF-MDZDMXLPSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.72
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide (CID 692588) is (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is JLFXWJQUQAGNEF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H11ClF3NO/c17-13-7-3-1-5-11(13)9-10-15(22)21-14-8-4-2-6-12(14)16(18,19)20/h1-10H,(H,21,22)/b10-9+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 325.72 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 692588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).