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

C19H18FNO2 — CID 33319337

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCCc1cccc(F)c1
InChIInChI=1S/C19H18FNO2/c20-17-3-1-2-14(13-17)8-10-21-19(22)7-5-15-4-6-18-16(12-15)9-11-23-18/h1-7,12-13H,8-11H2,(H,21,22)/b7-5+
InChIKeyOKAJSBZCJBPJSD-FNORWQNLSA-N
MW311.36 g/mol
LogP3.13
Rot. Bonds5

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

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide (PubChem CID 33319337) 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-(3-fluorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
PubChem CID33319337
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCCc1cccc(F)c1
InChIInChI=1S/C19H18FNO2/c20-17-3-1-2-14(13-17)8-10-21-19(22)7-5-15-4-6-18-16(12-15)9-11-23-18/h1-7,12-13H,8-11H2,(H,21,22)/b7-5+
InChIKeyOKAJSBZCJBPJSD-FNORWQNLSA-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-(3-fluorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide (CID 33319337) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCO2)NCCc1cccc(F)c1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide?
The InChIKey is OKAJSBZCJBPJSD-FNORWQNLSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-17-3-1-2-14(13-17)8-10-21-19(22)7-5-15-4-6-18-16(12-15)9-11-23-18/h1-7,12-13H,8-11H2,(H,21,22)/b7-5+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(3-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-(3-fluorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 33319337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).