[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate

C18H17ClN2O6 — CID 7485463

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O6/c1-25-15-5-3-2-4-14(15)18(24)27-11-17(23)21-20-16(22)10-26-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHPYICXDTOITANJ-UHFFFAOYSA-N
MW392.80 g/mol
LogP1.73
Rot. Bonds7

About [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate (PubChem CID 7485463) has the molecular formula C18H17ClN2O6 and a molecular weight of 392.80 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
PubChem CID7485463
Molecular FormulaC18H17ClN2O6
Molecular Weight392.80 g/mol
Exact Mass392.08
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O6/c1-25-15-5-3-2-4-14(15)18(24)27-11-17(23)21-20-16(22)10-26-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHPYICXDTOITANJ-UHFFFAOYSA-N
XLogP1.73
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887713
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
4-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 29279191
2-(4-chlorophenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719123
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7504646
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 2454005
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-ethoxybenzoate
CID 7751673
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540331

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate (CID 7485463) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is HPYICXDTOITANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O6/c1-25-15-5-3-2-4-14(15)18(24)27-11-17(23)21-20-16(22)10-26-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 392.80 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 7485463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).