(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide

C17H13NO3 — CID 713159

IUPAC(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C17H13NO3/c19-16(9-6-12-4-2-1-3-5-12)18-14-7-8-15-13(10-14)11-21-17(15)20/h1-10H,11H2,(H,18,19)/b9-6+
InChIKeyCHQNKZDCKZDXCI-RMKNXTFCSA-N
MW279.30 g/mol
LogP3.01
Rot. Bonds3

About (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide

(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide (PubChem CID 713159) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
PubChem CID713159
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C17H13NO3/c19-16(9-6-12-4-2-1-3-5-12)18-14-7-8-15-13(10-14)11-21-17(15)20/h1-10H,11H2,(H,18,19)/b9-6+
InChIKeyCHQNKZDCKZDXCI-RMKNXTFCSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-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

(Z)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
CID 22299082
(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide
CID 57403040
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylprop-2-enamide
CID 732540
N-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enamide
CID 4106400
5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-dihydroisoindole-2-carboxylic acid
CID 138520821
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-(3-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 837187
(E)-N-(4-chloro-3-methylphenyl)-3-phenylprop-2-enamide
CID 59569556
(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide
CID 114259316
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylprop-2-enamide
CID 171088427
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
(E)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-3-phenylprop-2-enamide
CID 28677651

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide (CID 713159) is (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)COC2=O.
What is the InChIKey of (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide?
The InChIKey is CHQNKZDCKZDXCI-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H13NO3/c19-16(9-6-12-4-2-1-3-5-12)18-14-7-8-15-13(10-14)11-21-17(15)20/h1-10H,11H2,(H,18,19)/b9-6+.
What are the key properties of (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide?
(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide has a molecular weight of 279.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 713159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).