N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide

C13H11NO5 — CID 25266368

IUPACN-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1ccc(O)c(O)c1)c1cccc(O)c1O
InChIInChI=1S/C13H11NO5/c15-9-5-4-7(6-11(9)17)14-13(19)8-2-1-3-10(16)12(8)18/h1-6,15-18H,(H,14,19)
InChIKeyTUWMHXSHDCDLJG-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.76
Rot. Bonds2

About N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide

N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide (PubChem CID 25266368) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide
PubChem CID25266368
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC NameN-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1ccc(O)c(O)c1)c1cccc(O)c1O
InChIInChI=1S/C13H11NO5/c15-9-5-4-7(6-11(9)17)14-13(19)8-2-1-3-10(16)12(8)18/h1-6,15-18H,(H,14,19)
InChIKeyTUWMHXSHDCDLJG-UHFFFAOYSA-N
XLogP1.76
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide (CID 25266368) is N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide is O=C(Nc1ccc(O)c(O)c1)c1cccc(O)c1O.
What is the InChIKey of N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide?
The InChIKey is TUWMHXSHDCDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c15-9-5-4-7(6-11(9)17)14-13(19)8-2-1-3-10(16)12(8)18/h1-6,15-18H,(H,14,19).
What are the key properties of N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide?
N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide has a molecular weight of 261.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxyphenyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 25266368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).