[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate

C17H14ClN3O7 — CID 7864396

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14ClN3O7/c1-27-14-7-6-10(18)8-12(14)16(23)20-19-15(22)9-28-17(24)11-4-2-3-5-13(11)21(25)26/h2-8H,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyQPFVUHZRXHEGAP-UHFFFAOYSA-N
MW407.77 g/mol
LogP1.87
Rot. Bonds6

About [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate (PubChem CID 7864396) has the molecular formula C17H14ClN3O7 and a molecular weight of 407.77 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
PubChem CID7864396
Molecular FormulaC17H14ClN3O7
Molecular Weight407.77 g/mol
Exact Mass407.05
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H14ClN3O7/c1-27-14-7-6-10(18)8-12(14)16(23)20-19-15(22)9-28-17(24)11-4-2-3-5-13(11)21(25)26/h2-8H,9H2,1H3,(H,19,22)(H,20,23)
InChIKeyQPFVUHZRXHEGAP-UHFFFAOYSA-N
XLogP1.87
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-methoxybenzoate
CID 7485772
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7235581
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540331
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870731
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564378
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-nitrobenzoate
CID 2619519
N-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 24636081
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 4856781
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 2640368

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate (CID 7864396) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate?
The InChIKey is QPFVUHZRXHEGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O7/c1-27-14-7-6-10(18)8-12(14)16(23)20-19-15(22)9-28-17(24)11-4-2-3-5-13(11)21(25)26/h2-8H,9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate has a molecular weight of 407.77 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate is sourced from PubChem (CID 7864396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).