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

C19H18FNO2 — CID 33317621

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCCc1ccccc1F
InChIInChI=1S/C19H18FNO2/c20-17-4-2-1-3-15(17)9-11-21-19(22)8-6-14-5-7-18-16(13-14)10-12-23-18/h1-8,13H,9-12H2,(H,21,22)/b8-6+
InChIKeyIPLSDYMYMXUEMC-SOFGYWHQSA-N
MW311.36 g/mol
LogP3.13
Rot. Bonds5

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

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide (PubChem CID 33317621) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide
PubChem CID33317621
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCCc1ccccc1F
InChIInChI=1S/C19H18FNO2/c20-17-4-2-1-3-15(17)9-11-21-19(22)8-6-14-5-7-18-16(13-14)10-12-23-18/h1-8,13H,9-12H2,(H,21,22)/b8-6+
InChIKeyIPLSDYMYMXUEMC-SOFGYWHQSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide (CID 33317621) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCO2)NCCc1ccccc1F.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide?
The InChIKey is IPLSDYMYMXUEMC-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-17-4-2-1-3-15(17)9-11-21-19(22)8-6-14-5-7-18-16(13-14)10-12-23-18/h1-8,13H,9-12H2,(H,21,22)/b8-6+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide has a molecular weight of 311.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 33317621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).