2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide

C9H11NO5 — CID 141183916

IUPAC2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(O)c(O)c1O
InChIInChI=1S/C9H11NO5/c11-4-3-10-9(15)5-1-2-6(12)8(14)7(5)13/h1-2,11-14H,3-4H2,(H,10,15)
InChIKeyJLQXZJQWGOFCFT-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.47
Rot. Bonds3

About 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide

2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide (PubChem CID 141183916) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide
PubChem CID141183916
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(O)c(O)c1O
InChIInChI=1S/C9H11NO5/c11-4-3-10-9(15)5-1-2-6(12)8(14)7(5)13/h1-2,11-14H,3-4H2,(H,10,15)
InChIKeyJLQXZJQWGOFCFT-UHFFFAOYSA-N
XLogP-0.47
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide (CID 141183916) is 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(O)c(O)c1O.
What is the InChIKey of 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide?
The InChIKey is JLQXZJQWGOFCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c11-4-3-10-9(15)5-1-2-6(12)8(14)7(5)13/h1-2,11-14H,3-4H2,(H,10,15).
What are the key properties of 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide?
2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide has a molecular weight of 213.19 g/mol, XLogP of -0.47, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 141183916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).