2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

C13H15NO4 — CID 103760946

IUPAC2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESO=C(NC1CC2CCC1O2)c1ccc(O)cc1O
InChIInChI=1S/C13H15NO4/c15-7-1-3-9(11(16)5-7)13(17)14-10-6-8-2-4-12(10)18-8/h1,3,5,8,10,12,15-16H,2,4,6H2,(H,14,17)
InChIKeyYYVQBTFPVSAVHL-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.15
Rot. Bonds2

About 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide

2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (PubChem CID 103760946) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
PubChem CID103760946
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESO=C(NC1CC2CCC1O2)c1ccc(O)cc1O
InChIInChI=1S/C13H15NO4/c15-7-1-3-9(11(16)5-7)13(17)14-10-6-8-2-4-12(10)18-8/h1,3,5,8,10,12,15-16H,2,4,6H2,(H,14,17)
InChIKeyYYVQBTFPVSAVHL-UHFFFAOYSA-N
XLogP1.15
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide (CID 103760946) is 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is O=C(NC1CC2CCC1O2)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
The InChIKey is YYVQBTFPVSAVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-7-1-3-9(11(16)5-7)13(17)14-10-6-8-2-4-12(10)18-8/h1,3,5,8,10,12,15-16H,2,4,6H2,(H,14,17).
What are the key properties of 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide?
2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide has a molecular weight of 249.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide is sourced from PubChem (CID 103760946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).