(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide

C21H19F5N2O3 — CID 26356583

IUPAC(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H19F5N2O3/c1-2-28(13-18(29)27-17-6-4-3-5-16(17)21(24,25)26)19(30)12-9-14-7-10-15(11-8-14)31-20(22)23/h3-12,20H,2,13H2,1H3,(H,27,29)/b12-9+
InChIKeyZOUZDQMGCGMPMX-FMIVXFBMSA-N
MW442.38 g/mol
LogP4.81
Rot. Bonds8

About (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide

(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide (PubChem CID 26356583) has the molecular formula C21H19F5N2O3 and a molecular weight of 442.38 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
PubChem CID26356583
Molecular FormulaC21H19F5N2O3
Molecular Weight442.38 g/mol
Exact Mass442.13
IUPAC Name(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H19F5N2O3/c1-2-28(13-18(29)27-17-6-4-3-5-16(17)21(24,25)26)19(30)12-9-14-7-10-15(11-8-14)31-20(22)23/h3-12,20H,2,13H2,1H3,(H,27,29)/b12-9+
InChIKeyZOUZDQMGCGMPMX-FMIVXFBMSA-N
XLogP4.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]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)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26356752
(E)-N-ethyl-3-(5-methylfuran-2-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 26356579
3-(5-chloro-2-methoxyphenyl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 55876212
(E)-N-(2-tert-butylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7920115
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
4-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 26356507
2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 55344407
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 8500714
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide (CID 26356583) is (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide?
The InChIKey is ZOUZDQMGCGMPMX-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H19F5N2O3/c1-2-28(13-18(29)27-17-6-4-3-5-16(17)21(24,25)26)19(30)12-9-14-7-10-15(11-8-14)31-20(22)23/h3-12,20H,2,13H2,1H3,(H,27,29)/b12-9+.
What are the key properties of (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide?
(E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide has a molecular weight of 442.38 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)phenyl]-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]prop-2-enamide is sourced from PubChem (CID 26356583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).