3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

C19H16F3NO2 — CID 154797024

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CCO2)N(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)13-23(16-4-2-1-3-5-16)18(24)9-7-14-6-8-17-15(12-14)10-11-25-17/h1-9,12H,10-11,13H2
InChIKeyVDUWQRAVEGTBJY-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.23
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 154797024) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID154797024
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CCO2)N(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)13-23(16-4-2-1-3-5-16)18(24)9-7-14-6-8-17-15(12-14)10-11-25-17/h1-9,12H,10-11,13H2
InChIKeyVDUWQRAVEGTBJY-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 104857759
2-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl-methylamino]butanoic acid
CID 76930433
(2S)-3-[[(Z)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 129410093
N-[2-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 38206239
3-[3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoylamino]-3-methylbutanoic acid
CID 77058343
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]prop-2-enamide
CID 24584339
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 75364562
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-hydroxybutyl)-N-methylprop-2-enamide
CID 115673385
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide
CID 115776317

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 154797024) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is O=C(C=Cc1ccc2c(c1)CCO2)N(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is VDUWQRAVEGTBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)13-23(16-4-2-1-3-5-16)18(24)9-7-14-6-8-17-15(12-14)10-11-25-17/h1-9,12H,10-11,13H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 347.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenyl-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 154797024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).