ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate

C17H16Cl2N2O3 — CID 172554704

IUPACethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
SMILESCCOC(=O)C(C)=NNc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-3-23-17(22)11(2)20-21-13-5-7-14(8-6-13)24-16-9-4-12(18)10-15(16)19/h4-10,21H,3H2,1-2H3
InChIKeySVEQSJLIRVCCCW-UHFFFAOYSA-N
MW367.23 g/mol
LogP5.14
Rot. Bonds6

About ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate

ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate (PubChem CID 172554704) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
PubChem CID172554704
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Nameethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate
SMILESCCOC(=O)C(C)=NNc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-3-23-17(22)11(2)20-21-13-5-7-14(8-6-13)24-16-9-4-12(18)10-15(16)19/h4-10,21H,3H2,1-2H3
InChIKeySVEQSJLIRVCCCW-UHFFFAOYSA-N
XLogP5.14
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.23
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4-acetamido-2-chlorophenoxy)benzoate
CID 132591036
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
ethyl (2E)-2-[(4-tert-butylphenyl)hydrazinylidene]propanoate
CID 5377178
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
CID 177479961
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
CID 24873970
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 12858861
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
CID 134106161
1-chloro-4-(4-chlorophenoxy)benzene;1-[5-chloro-2-(4-chlorophenoxy)phenyl]ethanone;1-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]ethanone;2,4-dichloro-1-(4-chlorophenoxy)benzene;methane
CID 160666501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate?
The IUPAC name of ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate (CID 172554704) is ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate.
What is the SMILES notation for ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate?
The canonical SMILES for ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate is CCOC(=O)C(C)=NNc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate?
The InChIKey is SVEQSJLIRVCCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-3-23-17(22)11(2)20-21-13-5-7-14(8-6-13)24-16-9-4-12(18)10-15(16)19/h4-10,21H,3H2,1-2H3.
What are the key properties of ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate?
ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate has a molecular weight of 367.23 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(2,4-dichlorophenoxy)phenyl]hydrazinylidene]propanoate is sourced from PubChem (CID 172554704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).