[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate

C17H15ClN2O7 — CID 7870731

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H15ClN2O7/c1-26-14-5-2-9(18)6-12(14)16(24)20-19-15(23)8-27-17(25)11-4-3-10(21)7-13(11)22/h2-7,21-22H,8H2,1H3,(H,19,23)(H,20,24)
InChIKeyDIEXNDXQQFHVBZ-UHFFFAOYSA-N
MW394.77 g/mol
LogP1.38
Rot. Bonds5

About [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate (PubChem CID 7870731) has the molecular formula C17H15ClN2O7 and a molecular weight of 394.77 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
PubChem CID7870731
Molecular FormulaC17H15ClN2O7
Molecular Weight394.77 g/mol
Exact Mass394.06
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H15ClN2O7/c1-26-14-5-2-9(18)6-12(14)16(24)20-19-15(23)8-27-17(25)11-4-3-10(21)7-13(11)22/h2-7,21-22H,8H2,1H3,(H,19,23)(H,20,24)
InChIKeyDIEXNDXQQFHVBZ-UHFFFAOYSA-N
XLogP1.38
TPSA134.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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] 3-hydroxynaphthalene-2-carboxylate
CID 16540331
[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
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-nitrobenzoate
CID 7864396
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55313953
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017426
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-ethoxybenzoate
CID 7751673
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848086
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate (CID 7870731) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(O)cc1O.
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate?
The InChIKey is DIEXNDXQQFHVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O7/c1-26-14-5-2-9(18)6-12(14)16(24)20-19-15(23)8-27-17(25)11-4-3-10(21)7-13(11)22/h2-7,21-22H,8H2,1H3,(H,19,23)(H,20,24).
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate has a molecular weight of 394.77 g/mol, XLogP of 1.38, 5 rotatable bonds, 4 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] 2,4-dihydroxybenzoate is sourced from PubChem (CID 7870731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).