(E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide

C17H15Cl2NO — CID 898775

IUPAC(E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
SMILESCc1ccc(CNC(=O)/C=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO/c1-12-5-7-13(8-6-12)11-20-17(21)10-9-14-15(18)3-2-4-16(14)19/h2-10H,11H2,1H3,(H,20,21)/b10-9+
InChIKeyZKQCVUOQTNROCU-MDZDMXLPSA-N
MW320.22 g/mol
LogP4.63
Rot. Bonds4

About (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide (PubChem CID 898775) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
PubChem CID898775
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
SMILESCc1ccc(CNC(=O)/C=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO/c1-12-5-7-13(8-6-12)11-20-17(21)10-9-14-15(18)3-2-4-16(14)19/h2-10H,11H2,1H3,(H,20,21)/b10-9+
InChIKeyZKQCVUOQTNROCU-MDZDMXLPSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-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)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide (CID 898775) is (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide is Cc1ccc(CNC(=O)/C=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
The InChIKey is ZKQCVUOQTNROCU-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-12-5-7-13(8-6-12)11-20-17(21)10-9-14-15(18)3-2-4-16(14)19/h2-10H,11H2,1H3,(H,20,21)/b10-9+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide has a molecular weight of 320.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 898775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).