4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide

C13H16BrNO3 — CID 103890717

IUPAC4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(Br)c(O)c2)CCO1
InChIInChI=1S/C13H16BrNO3/c1-8-6-10(4-5-18-8)15-13(17)9-2-3-11(14)12(16)7-9/h2-3,7-8,10,16H,4-6H2,1H3,(H,15,17)
InChIKeyWGGKCVNAUYJMEQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.45
Rot. Bonds2

About 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide

4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide (PubChem CID 103890717) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
PubChem CID103890717
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(Br)c(O)c2)CCO1
InChIInChI=1S/C13H16BrNO3/c1-8-6-10(4-5-18-8)15-13(17)9-2-3-11(14)12(16)7-9/h2-3,7-8,10,16H,4-6H2,1H3,(H,15,17)
InChIKeyWGGKCVNAUYJMEQ-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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Related Compounds

4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
CID 103888185
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 103888208
4-bromo-N-(4-bromocyclohexyl)-3-hydroxybenzamide
CID 114103962
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide (CID 103890717) is 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide is CC1CC(NC(=O)c2ccc(Br)c(O)c2)CCO1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is WGGKCVNAUYJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-8-6-10(4-5-18-8)15-13(17)9-2-3-11(14)12(16)7-9/h2-3,7-8,10,16H,4-6H2,1H3,(H,15,17).
What are the key properties of 4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide?
4-bromo-3-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-3-hydroxy-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 103890717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).