(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide

C17H17F3N2O3 — CID 94131112

IUPAC(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C17H17F3N2O3/c1-2-13-12(11-5-3-4-6-14(11)25-13)7-8-15(23)21-9-16(24)22-10-17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,23)(H,22,24)/b8-7+
InChIKeyAWEFKXGYBWEZKV-BQYQJAHWSA-N
MW354.33 g/mol
LogP2.80
Rot. Bonds6

About (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide

(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide (PubChem CID 94131112) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
PubChem CID94131112
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
SMILESCCc1oc2ccccc2c1/C=C/C(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C17H17F3N2O3/c1-2-13-12(11-5-3-4-6-14(11)25-13)7-8-15(23)21-9-16(24)22-10-17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,23)(H,22,24)/b8-7+
InChIKeyAWEFKXGYBWEZKV-BQYQJAHWSA-N
XLogP2.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]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)-3-(2-ethyl-1-benzofuran-3-yl)-N-propylprop-2-enamide
CID 46532048
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 78823120
(E)-N-(4-acetamidophenyl)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enamide
CID 26273248
N'-[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 8870811
methyl N-[4-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]phenyl]carbamate
CID 55804926
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]prop-2-enamide
CID 55697866
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 26687668
methyl (2S)-2-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9085116
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)prop-2-enamide
CID 110002731
(E)-3-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide
CID 60546571
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]prop-2-enamide
CID 51247281
1-[[(E)-3-(2-ethyl-1-benzofuran-3-yl)prop-2-enoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9086021

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide (CID 94131112) is (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide is CCc1oc2ccccc2c1/C=C/C(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide?
The InChIKey is AWEFKXGYBWEZKV-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-2-13-12(11-5-3-4-6-14(11)25-13)7-8-15(23)21-9-16(24)22-10-17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,23)(H,22,24)/b8-7+.
What are the key properties of (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide?
(E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide has a molecular weight of 354.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethyl-1-benzofuran-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 94131112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).