[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate

C18H16Cl2N2O6 — CID 55313953

IUPAC[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCOc1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C18H16Cl2N2O6/c1-26-14-6-3-10(7-15(14)27-2)17(24)22-21-16(23)9-28-18(25)12-8-11(19)4-5-13(12)20/h3-8H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXEHBNLDOZYOWFE-UHFFFAOYSA-N
MW427.24 g/mol
LogP2.63
Rot. Bonds6

About [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate (PubChem CID 55313953) has the molecular formula C18H16Cl2N2O6 and a molecular weight of 427.24 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
PubChem CID55313953
Molecular FormulaC18H16Cl2N2O6
Molecular Weight427.24 g/mol
Exact Mass426.04
IUPAC Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESCOc1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1OC
InChIInChI=1S/C18H16Cl2N2O6/c1-26-14-6-3-10(7-15(14)27-2)17(24)22-21-16(23)9-28-18(25)12-8-11(19)4-5-13(12)20/h3-8H,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXEHBNLDOZYOWFE-UHFFFAOYSA-N
XLogP2.63
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 52.63
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

N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998412
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017426
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-ethoxybenzoate
CID 7751673
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870731
N'-(4-chloro-2-iodobenzoyl)-3,4-dimethoxybenzohydrazide
CID 39714334
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991562
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 41278695
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate (CID 55313953) is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate is COc1ccc(C(=O)NNC(=O)COC(=O)c2cc(Cl)ccc2Cl)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate?
The InChIKey is XEHBNLDOZYOWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O6/c1-26-14-6-3-10(7-15(14)27-2)17(24)22-21-16(23)9-28-18(25)12-8-11(19)4-5-13(12)20/h3-8H,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate?
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate has a molecular weight of 427.24 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 55313953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).