3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide

C18H18ClNO2 — CID 23141492

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide
SMILESCCNC(=O)c1ccc(OC)c(/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClNO2/c1-3-20-18(21)15-8-11-17(22-2)14(12-15)7-4-13-5-9-16(19)10-6-13/h4-12H,3H2,1-2H3,(H,20,21)/b7-4+
InChIKeyDURJSEKZABDAMF-QPJJXVBHSA-N
MW315.80 g/mol
LogP4.27
Rot. Bonds5

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide

3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide (PubChem CID 23141492) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide
PubChem CID23141492
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide
SMILESCCNC(=O)c1ccc(OC)c(/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H18ClNO2/c1-3-20-18(21)15-8-11-17(22-2)14(12-15)7-4-13-5-9-16(19)10-6-13/h4-12H,3H2,1-2H3,(H,20,21)/b7-4+
InChIKeyDURJSEKZABDAMF-QPJJXVBHSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide 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 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide (CID 23141492) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide is CCNC(=O)c1ccc(OC)c(/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide?
The InChIKey is DURJSEKZABDAMF-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-3-20-18(21)15-8-11-17(22-2)14(12-15)7-4-13-5-9-16(19)10-6-13/h4-12H,3H2,1-2H3,(H,20,21)/b7-4+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide?
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide has a molecular weight of 315.80 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 23141492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).