2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide

C15H14N2O6 — CID 24773714

IUPAC2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccc(O)c2O)c1O
InChIInChI=1S/C15H14N2O6/c1-23-11-7-3-5-9(13(11)20)15(22)17-16-14(21)8-4-2-6-10(18)12(8)19/h2-7,18-20H,1H3,(H,16,21)(H,17,22)
InChIKeyFWIVOWZHCISZFX-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.89
Rot. Bonds3

About 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide

2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide (PubChem CID 24773714) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
PubChem CID24773714
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2cccc(O)c2O)c1O
InChIInChI=1S/C15H14N2O6/c1-23-11-7-3-5-9(13(11)20)15(22)17-16-14(21)8-4-2-6-10(18)12(8)19/h2-7,18-20H,1H3,(H,16,21)(H,17,22)
InChIKeyFWIVOWZHCISZFX-UHFFFAOYSA-N
XLogP0.89
TPSA128.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxy-3-methoxybenzoyl)pyridine-2-carbohydrazide
CID 69094543
2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
N'-[amino(ethylsulfanyl)methyl]-2-hydroxy-3-methoxybenzohydrazide
CID 102441294
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide?
The IUPAC name of 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide (CID 24773714) is 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide?
The canonical SMILES for 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide is COc1cccc(C(=O)NNC(=O)c2cccc(O)c2O)c1O.
What is the InChIKey of 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide?
The InChIKey is FWIVOWZHCISZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-23-11-7-3-5-9(13(11)20)15(22)17-16-14(21)8-4-2-6-10(18)12(8)19/h2-7,18-20H,1H3,(H,16,21)(H,17,22).
What are the key properties of 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide?
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide has a molecular weight of 318.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide is sourced from PubChem (CID 24773714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).