[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate

C18H17ClN2O6 — CID 7771242

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc(C)ccc1O
InChIInChI=1S/C18H17ClN2O6/c1-10-3-5-14(22)12(7-10)18(25)27-9-16(23)20-21-17(24)13-8-11(19)4-6-15(13)26-2/h3-8,22H,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHJKYITFOIMSTOF-UHFFFAOYSA-N
MW392.80 g/mol
LogP1.98
Rot. Bonds5

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

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate (PubChem CID 7771242) has the molecular formula C18H17ClN2O6 and a molecular weight of 392.80 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
PubChem CID7771242
Molecular FormulaC18H17ClN2O6
Molecular Weight392.80 g/mol
Exact Mass392.08
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc(C)ccc1O
InChIInChI=1S/C18H17ClN2O6/c1-10-3-5-14(22)12(7-10)18(25)27-9-16(23)20-21-17(24)13-8-11(19)4-6-15(13)26-2/h3-8,22H,9H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHJKYITFOIMSTOF-UHFFFAOYSA-N
XLogP1.98
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 51.98
H-Bond Donors ≤ 53
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-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870731
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771372
[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
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-(2,5-dimethylanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 7366056
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
CID 7864396
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55313953
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-ethoxybenzoate
CID 7751673
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate (CID 7771242) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc(C)ccc1O.
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The InChIKey is HJKYITFOIMSTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O6/c1-10-3-5-14(22)12(7-10)18(25)27-9-16(23)20-21-17(24)13-8-11(19)4-6-15(13)26-2/h3-8,22H,9H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate has a molecular weight of 392.80 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate is sourced from PubChem (CID 7771242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).