4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide

C13H16BrNO3 — CID 113346668

IUPAC4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(Br)cc2O)CCO1
InChIInChI=1S/C13H16BrNO3/c1-8-6-10(4-5-18-8)15-13(17)11-3-2-9(14)7-12(11)16/h2-3,7-8,10,16H,4-6H2,1H3,(H,15,17)
InChIKeyXBIKPOONXPLEJF-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.45
Rot. Bonds2

About 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide

4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide (PubChem CID 113346668) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
PubChem CID113346668
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(Br)cc2O)CCO1
InChIInChI=1S/C13H16BrNO3/c1-8-6-10(4-5-18-8)15-13(17)11-3-2-9(14)7-12(11)16/h2-3,7-8,10,16H,4-6H2,1H3,(H,15,17)
InChIKeyXBIKPOONXPLEJF-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide (CID 113346668) is 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide is CC1CC(NC(=O)c2ccc(Br)cc2O)CCO1.
What is the InChIKey of 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is XBIKPOONXPLEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-8-6-10(4-5-18-8)15-13(17)11-3-2-9(14)7-12(11)16/h2-3,7-8,10,16H,4-6H2,1H3,(H,15,17).
What are the key properties of 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide?
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide has a molecular weight of 314.18 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 113346668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).