(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide

C17H15NO2 — CID 170877618

IUPAC(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide
SMILESCC(=O)c1cccc(-c2ccccc2/C=C/C(N)=O)c1
InChIInChI=1S/C17H15NO2/c1-12(19)14-6-4-7-15(11-14)16-8-3-2-5-13(16)9-10-17(18)20/h2-11H,1H3,(H2,18,20)/b10-9+
InChIKeyGWCJOJGBVJFNRG-MDZDMXLPSA-N
MW265.31 g/mol
LogP3.05
Rot. Bonds4

About (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide

(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide (PubChem CID 170877618) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide
PubChem CID170877618
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide
SMILESCC(=O)c1cccc(-c2ccccc2/C=C/C(N)=O)c1
InChIInChI=1S/C17H15NO2/c1-12(19)14-6-4-7-15(11-14)16-8-3-2-5-13(16)9-10-17(18)20/h2-11H,1H3,(H2,18,20)/b10-9+
InChIKeyGWCJOJGBVJFNRG-MDZDMXLPSA-N
XLogP3.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.05
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-acetylphenyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide (CID 170877618) is (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide is CC(=O)c1cccc(-c2ccccc2/C=C/C(N)=O)c1.
What is the InChIKey of (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide?
The InChIKey is GWCJOJGBVJFNRG-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(19)14-6-4-7-15(11-14)16-8-3-2-5-13(16)9-10-17(18)20/h2-11H,1H3,(H2,18,20)/b10-9+.
What are the key properties of (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide?
(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 170877618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).