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

C17H14F3NO3 — CID 46238343

IUPAC(E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H14F3NO3/c1-23-15-8-3-2-7-14(15)21-16(22)10-9-12-5-4-6-13(11-12)24-17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+
InChIKeyMXBKVQZQTGUAKN-MDZDMXLPSA-N
MW337.30 g/mol
LogP4.25
Rot. Bonds5

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

(E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 46238343) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID46238343
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name(E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1ccccc1NC(=O)/C=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H14F3NO3/c1-23-15-8-3-2-7-14(15)21-16(22)10-9-12-5-4-6-13(11-12)24-17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+
InChIKeyMXBKVQZQTGUAKN-MDZDMXLPSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-methoxyphenyl)-3-[3-(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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide (CID 46238343) is (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide is COc1ccccc1NC(=O)/C=C/c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is MXBKVQZQTGUAKN-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-23-15-8-3-2-7-14(15)21-16(22)10-9-12-5-4-6-13(11-12)24-17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+.
What are the key properties of (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 337.30 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyphenyl)-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 46238343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).