methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate

C13H14Cl2N2O5 — CID 575319

IUPACmethyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O5/c1-21-13(20)5-4-11(18)16-17-12(19)7-22-10-3-2-8(14)6-9(10)15/h2-3,6H,4-5,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyMEEORTNGAFGGBJ-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.47
Rot. Bonds6

About methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate

methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate (PubChem CID 575319) has the molecular formula C13H14Cl2N2O5 and a molecular weight of 349.17 g/mol. Its IUPAC name is methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
PubChem CID575319
Molecular FormulaC13H14Cl2N2O5
Molecular Weight349.17 g/mol
Exact Mass348.03
IUPAC Namemethyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O5/c1-21-13(20)5-4-11(18)16-17-12(19)7-22-10-3-2-8(14)6-9(10)15/h2-3,6H,4-5,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyMEEORTNGAFGGBJ-UHFFFAOYSA-N
XLogP1.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
N-(3-chloro-2-methylphenyl)-4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3516306
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2818575
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate (CID 575319) is methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate is COC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate?
The InChIKey is MEEORTNGAFGGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O5/c1-21-13(20)5-4-11(18)16-17-12(19)7-22-10-3-2-8(14)6-9(10)15/h2-3,6H,4-5,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate?
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate has a molecular weight of 349.17 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 575319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).