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

C20H18F3NO3 — CID 55611478

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO3/c1-13(15-4-6-17(7-5-15)27-20(21,22)23)24-19(25)9-3-14-2-8-18-16(12-14)10-11-26-18/h2-9,12-13H,10-11H2,1H3,(H,24,25)/b9-3+
InChIKeyCLFLUMHGELNECG-YCRREMRBSA-N
MW377.36 g/mol
LogP4.41
Rot. Bonds5

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

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide (PubChem CID 55611478) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
PubChem CID55611478
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO3/c1-13(15-4-6-17(7-5-15)27-20(21,22)23)24-19(25)9-3-14-2-8-18-16(12-14)10-11-26-18/h2-9,12-13H,10-11H2,1H3,(H,24,25)/b9-3+
InChIKeyCLFLUMHGELNECG-YCRREMRBSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]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-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 22605662
(E)-N-[1-(3-acetamidophenyl)ethyl]-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 55581004
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide
CID 24586730
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]prop-2-enamide
CID 55663005
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 24584339
methyl 2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 166219000
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 104857759
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 43500712
2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]-4-hydroxybutanoic acid
CID 61242573
(2R)-2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-4-hydroxybutanoic acid
CID 107822740
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide (CID 55611478) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide?
The InChIKey is CLFLUMHGELNECG-YCRREMRBSA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-13(15-4-6-17(7-5-15)27-20(21,22)23)24-19(25)9-3-14-2-8-18-16(12-14)10-11-26-18/h2-9,12-13H,10-11H2,1H3,(H,24,25)/b9-3+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide has a molecular weight of 377.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 55611478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).