ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate

C11H12Cl2N2O3 — CID 131632768

IUPACethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NNc1cc(Cl)ccc1OC
InChIInChI=1S/C11H12Cl2N2O3/c1-3-18-11(16)10(13)15-14-8-6-7(12)4-5-9(8)17-2/h4-6,14H,3H2,1-2H3
InChIKeyAHKYBIQQWIFDAQ-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.88
Rot. Bonds5

About ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate

ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate (PubChem CID 131632768) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
PubChem CID131632768
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Nameethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NNc1cc(Cl)ccc1OC
InChIInChI=1S/C11H12Cl2N2O3/c1-3-18-11(16)10(13)15-14-8-6-7(12)4-5-9(8)17-2/h4-6,14H,3H2,1-2H3
InChIKeyAHKYBIQQWIFDAQ-UHFFFAOYSA-N
XLogP2.88
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.88
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 (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
CID 59664793
ethyl (2Z,3E)-3-[[2-(5-chloro-2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]-2-hydroxyiminobutanoate
CID 135819821
ethyl (2E)-2-cyano-2-[(2-methoxy-5-methylphenyl)hydrazinylidene]acetate
CID 6895831
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 12858861
ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
CID 24873970
ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 130194422
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
(5-chloro-2-methoxyphenyl)hydrazine;oxalic acid
CID 175007834
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
CID 134106161
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate (CID 131632768) is ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate is CCOC(=O)C(Cl)=NNc1cc(Cl)ccc1OC.
What is the InChIKey of ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate?
The InChIKey is AHKYBIQQWIFDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-3-18-11(16)10(13)15-14-8-6-7(12)4-5-9(8)17-2/h4-6,14H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate?
ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate has a molecular weight of 291.13 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 131632768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).