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

C17H14F3NO3 — CID 16572166

IUPAC(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C17H14F3NO3/c1-23-13-6-4-5-12(11-13)9-10-16(22)21-14-7-2-3-8-15(14)24-17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+
InChIKeyMIQYTJFNCMLUOX-MDZDMXLPSA-N
MW337.30 g/mol
LogP4.25
Rot. Bonds5

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

(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 16572166) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID16572166
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C17H14F3NO3/c1-23-13-6-4-5-12(11-13)9-10-16(22)21-14-7-2-3-8-15(14)24-17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+
InChIKeyMIQYTJFNCMLUOX-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)-3-(3-methoxyphenyl)-N-[2-(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

(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
(E)-3-(4-acetamidophenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 35205096
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765
(E)-N-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 90676787
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
(E)-N-(2-amino-4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867858
2-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]-4-phenylbenzoic acid
CID 67344097
3-(3,4-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)phenyl]prop-2-enamide
CID 75910605
N-(2-methoxyphenyl)-4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzamide
CID 2349234

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide (CID 16572166) is (E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is MIQYTJFNCMLUOX-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14F3NO3/c1-23-13-6-4-5-12(11-13)9-10-16(22)21-14-7-2-3-8-15(14)24-17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[2-(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)-3-(3-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 16572166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).