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

C17H15Cl2NO — CID 7927939

IUPAC(E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO/c1-12-2-4-13(5-3-12)6-9-17(21)20-11-14-7-8-15(18)10-16(14)19/h2-10H,11H2,1H3,(H,20,21)/b9-6+
InChIKeyRHSRNWUHGQVDHJ-RMKNXTFCSA-N
MW320.22 g/mol
LogP4.63
Rot. Bonds4

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

(E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 7927939) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID7927939
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO/c1-12-2-4-13(5-3-12)6-9-17(21)20-11-14-7-8-15(18)10-16(14)19/h2-10H,11H2,1H3,(H,20,21)/b9-6+
InChIKeyRHSRNWUHGQVDHJ-RMKNXTFCSA-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)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)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

Related Compounds

ethyl (E)-4-[(2,4-dichlorophenyl)methylamino]-4-oxobut-2-enoate
CID 46762442
(E)-N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 86950496
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26018842
(E)-3-(4-aminophenyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 84557574
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenoxy)propanamide
CID 2712591
2-(2,4-dichlorophenyl)-N-(4-methylphenyl)acetamide
CID 2712173
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide (CID 7927939) is (E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is RHSRNWUHGQVDHJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-12-2-4-13(5-3-12)6-9-17(21)20-11-14-7-8-15(18)10-16(14)19/h2-10H,11H2,1H3,(H,20,21)/b9-6+.
What are the key properties of (E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)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)-N-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 7927939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).