ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate

C17H14ClF2NO2 — CID 90738818

IUPACethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate
SMILESCCOC(=O)C(/C=N/c1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF2NO2/c1-2-23-17(22)14(11-3-5-12(18)6-4-11)10-21-16-8-7-13(19)9-15(16)20/h3-10,14H,2H2,1H3/b21-10+
InChIKeyHOFLOABOZHAXQX-UFFVCSGVSA-N
MW337.75 g/mol
LogP4.67
Rot. Bonds5

About ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate

ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate (PubChem CID 90738818) has the molecular formula C17H14ClF2NO2 and a molecular weight of 337.75 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate
PubChem CID90738818
Molecular FormulaC17H14ClF2NO2
Molecular Weight337.75 g/mol
Exact Mass337.07
IUPAC Nameethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate
SMILESCCOC(=O)C(/C=N/c1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClF2NO2/c1-2-23-17(22)14(11-3-5-12(18)6-4-11)10-21-16-8-7-13(19)9-15(16)20/h3-10,14H,2H2,1H3/b21-10+
InChIKeyHOFLOABOZHAXQX-UFFVCSGVSA-N
XLogP4.67
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.75
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate 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 ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate (CID 90738818) is ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate is CCOC(=O)C(/C=N/c1ccc(F)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate?
The InChIKey is HOFLOABOZHAXQX-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H14ClF2NO2/c1-2-23-17(22)14(11-3-5-12(18)6-4-11)10-21-16-8-7-13(19)9-15(16)20/h3-10,14H,2H2,1H3/b21-10+.
What are the key properties of ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate?
ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate has a molecular weight of 337.75 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-3-(2,4-difluorophenyl)iminopropanoate is sourced from PubChem (CID 90738818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).