(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide

C22H21F3N2O3 — CID 55794950

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C22H21F3N2O3/c23-22(24,25)18-14-17(27-8-11-29-12-9-27)3-4-19(18)26-21(28)6-2-15-1-5-20-16(13-15)7-10-30-20/h1-6,13-14H,7-12H2,(H,26,28)/b6-2+
InChIKeyZKNSFLCGYVTPHG-QHHAFSJGSA-N
MW418.42 g/mol
LogP4.13
Rot. Bonds4

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 55794950) has the molecular formula C22H21F3N2O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID55794950
Molecular FormulaC22H21F3N2O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C22H21F3N2O3/c23-22(24,25)18-14-17(27-8-11-29-12-9-27)3-4-19(18)26-21(28)6-2-15-1-5-20-16(13-15)7-10-30-20/h1-6,13-14H,7-12H2,(H,26,28)/b6-2+
InChIKeyZKNSFLCGYVTPHG-QHHAFSJGSA-N
XLogP4.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)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)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 51297180
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 55795367
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 24585839
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[5-(trifluoromethyl)triazol-1-yl]phenyl]prop-2-enamide
CID 51133038
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 104857759
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(4-hydroxypiperidin-1-yl)phenyl]prop-2-en-1-one
CID 111337709
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471751
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 42939291
3-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 55978944
4-chloro-3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]benzamide
CID 72690281
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-hydroxyethyl)phenyl]prop-2-enamide
CID 110904699

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide (CID 55794950) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZKNSFLCGYVTPHG-QHHAFSJGSA-N. The full InChI is InChI=1S/C22H21F3N2O3/c23-22(24,25)18-14-17(27-8-11-29-12-9-27)3-4-19(18)26-21(28)6-2-15-1-5-20-16(13-15)7-10-30-20/h1-6,13-14H,7-12H2,(H,26,28)/b6-2+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 418.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55794950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).