5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide

C13H16BrNO3 — CID 103747166

IUPAC5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Br)ccc2O)CCCO1
InChIInChI=1S/C13H16BrNO3/c1-13(5-2-6-18-13)8-15-12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyQUQHFJJINNGZLZ-UHFFFAOYSA-N
MW314.18 g/mol
LogP2.45
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide

5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide (PubChem CID 103747166) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
PubChem CID103747166
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2cc(Br)ccc2O)CCCO1
InChIInChI=1S/C13H16BrNO3/c1-13(5-2-6-18-13)8-15-12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17)
InChIKeyQUQHFJJINNGZLZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-bromo-5-iodo-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 113362530
3-amino-6-bromo-N-[(2-methyloxolan-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114908031
5-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-2-hydroxybenzamide
CID 107730444
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
2,6-dichloro-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 103747169
4-bromo-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701402
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 46992861
2,5-dibromo-N-[(1-methylcyclopentyl)methyl]benzamide
CID 114372364
N-[(2-methyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615172
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81321967
4-(ethylamino)-6-methyl-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245640
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide (CID 103747166) is 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide is CC1(CNC(=O)c2cc(Br)ccc2O)CCCO1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide?
The InChIKey is QUQHFJJINNGZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c1-13(5-2-6-18-13)8-15-12(17)10-7-9(14)3-4-11(10)16/h3-4,7,16H,2,5-6,8H2,1H3,(H,15,17).
What are the key properties of 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide?
5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide has a molecular weight of 314.18 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide is sourced from PubChem (CID 103747166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).