(E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide

C15H11Cl2NO — CID 702486

IUPAC(E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2NO/c16-12-8-13(17)10-14(9-12)18-15(19)7-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b7-6+
InChIKeyATMDLMMFXOYJEA-VOTSOKGWSA-N
MW292.17 g/mol
LogP4.65
Rot. Bonds3

About (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide

(E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide (PubChem CID 702486) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide
PubChem CID702486
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name(E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl2NO/c16-12-8-13(17)10-14(9-12)18-15(19)7-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b7-6+
InChIKeyATMDLMMFXOYJEA-VOTSOKGWSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(3,5-dichlorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide (CID 702486) is (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide?
The InChIKey is ATMDLMMFXOYJEA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-12-8-13(17)10-14(9-12)18-15(19)7-6-11-4-2-1-3-5-11/h1-10H,(H,18,19)/b7-6+.
What are the key properties of (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide?
(E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide has a molecular weight of 292.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dichlorophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 702486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).