(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide

C16H11F4NO2 — CID 2678287

IUPAC(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F4NO2/c17-12-3-1-2-11(10-12)4-9-15(22)21-13-5-7-14(8-6-13)23-16(18,19)20/h1-10H,(H,21,22)/b9-4+
InChIKeyJKROUUWZDVAGST-RUDMXATFSA-N
MW325.26 g/mol
LogP4.38
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 2678287) has the molecular formula C16H11F4NO2 and a molecular weight of 325.26 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID2678287
Molecular FormulaC16H11F4NO2
Molecular Weight325.26 g/mol
Exact Mass325.07
IUPAC Name(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F4NO2/c17-12-3-1-2-11(10-12)4-9-15(22)21-13-5-7-14(8-6-13)23-16(18,19)20/h1-10H,(H,21,22)/b9-4+
InChIKeyJKROUUWZDVAGST-RUDMXATFSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)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

Related Compounds

3-phenyl-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 708108
(E)-3-(4-fluorophenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 38032223
(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
(E)-3-(3-fluorophenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933927
butyl 4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 7927008
(E)-N-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6041461

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide (CID 2678287) is (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is JKROUUWZDVAGST-RUDMXATFSA-N. The full InChI is InChI=1S/C16H11F4NO2/c17-12-3-1-2-11(10-12)4-9-15(22)21-13-5-7-14(8-6-13)23-16(18,19)20/h1-10H,(H,21,22)/b9-4+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 325.26 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 2678287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).