(E)-3-anilino-1,2-diphenylprop-2-en-1-one

C21H17NO — CID 6292138

IUPAC(E)-3-anilino-1,2-diphenylprop-2-en-1-one
SMILESO=C(/C(=C/Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c23-21(18-12-6-2-7-13-18)20(17-10-4-1-5-11-17)16-22-19-14-8-3-9-15-19/h1-16,22H/b20-16+
InChIKeyXASRYHCSJKQTGE-CAPFRKAQSA-N
MW299.37 g/mol
LogP5.02
Rot. Bonds5

About (E)-3-anilino-1,2-diphenylprop-2-en-1-one

(E)-3-anilino-1,2-diphenylprop-2-en-1-one (PubChem CID 6292138) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-3-anilino-1,2-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-anilino-1,2-diphenylprop-2-en-1-one
PubChem CID6292138
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(E)-3-anilino-1,2-diphenylprop-2-en-1-one
SMILESO=C(/C(=C/Nc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO/c23-21(18-12-6-2-7-13-18)20(17-10-4-1-5-11-17)16-22-19-14-8-3-9-15-19/h1-16,22H/b20-16+
InChIKeyXASRYHCSJKQTGE-CAPFRKAQSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-anilino-1,2-diphenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-anilino-1,2-diphenylprop-2-en-1-one?
The IUPAC name of (E)-3-anilino-1,2-diphenylprop-2-en-1-one (CID 6292138) is (E)-3-anilino-1,2-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-anilino-1,2-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-3-anilino-1,2-diphenylprop-2-en-1-one is O=C(/C(=C/Nc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-anilino-1,2-diphenylprop-2-en-1-one?
The InChIKey is XASRYHCSJKQTGE-CAPFRKAQSA-N. The full InChI is InChI=1S/C21H17NO/c23-21(18-12-6-2-7-13-18)20(17-10-4-1-5-11-17)16-22-19-14-8-3-9-15-19/h1-16,22H/b20-16+.
What are the key properties of (E)-3-anilino-1,2-diphenylprop-2-en-1-one?
(E)-3-anilino-1,2-diphenylprop-2-en-1-one has a molecular weight of 299.37 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-anilino-1,2-diphenylprop-2-en-1-one is sourced from PubChem (CID 6292138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).