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

C17H11Cl3N2O — CID 71508329

IUPAC(E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl3N2O/c18-14-4-1-11(2-5-14)7-13(9-21)17(23)22-10-12-3-6-15(19)16(20)8-12/h1-8H,10H2,(H,22,23)/b13-7+
InChIKeyJYVBHYCROLBWTA-NTUHNPAUSA-N
MW365.65 g/mol
LogP4.87
Rot. Bonds4

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

(E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide (PubChem CID 71508329) has the molecular formula C17H11Cl3N2O and a molecular weight of 365.65 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
PubChem CID71508329
Molecular FormulaC17H11Cl3N2O
Molecular Weight365.65 g/mol
Exact Mass363.99
IUPAC Name(E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl3N2O/c18-14-4-1-11(2-5-14)7-13(9-21)17(23)22-10-12-3-6-15(19)16(20)8-12/h1-8H,10H2,(H,22,23)/b13-7+
InChIKeyJYVBHYCROLBWTA-NTUHNPAUSA-N
XLogP4.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.65
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)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-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide (CID 71508329) is (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide is N#C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide?
The InChIKey is JYVBHYCROLBWTA-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H11Cl3N2O/c18-14-4-1-11(2-5-14)7-13(9-21)17(23)22-10-12-3-6-15(19)16(20)8-12/h1-8H,10H2,(H,22,23)/b13-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide has a molecular weight of 365.65 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-cyano-N-[(3,4-dichlorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 71508329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).