N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide

C15H14BrNO3 — CID 103956833

IUPACN-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccc(O)c(C)c2)c1
InChIInChI=1S/C15H14BrNO3/c1-9-7-10(3-6-14(9)18)15(19)17-13-8-11(20-2)4-5-12(13)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyOIKWWOMQXXGDDD-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.72
Rot. Bonds3

About N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide

N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide (PubChem CID 103956833) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
PubChem CID103956833
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
SMILESCOc1ccc(Br)c(NC(=O)c2ccc(O)c(C)c2)c1
InChIInChI=1S/C15H14BrNO3/c1-9-7-10(3-6-14(9)18)15(19)17-13-8-11(20-2)4-5-12(13)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyOIKWWOMQXXGDDD-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634
N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 107676866
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
N-(2-bromo-5-methoxyphenyl)-2-chloropyridine-4-carboxamide
CID 62415651
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
N-(2-bromo-5-methoxyphenyl)-1H-indole-6-carboxamide
CID 62415637
5-bromo-N-(2-bromo-5-methoxyphenyl)thiophene-3-carboxamide
CID 62415455
N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide (CID 103956833) is N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide is COc1ccc(Br)c(NC(=O)c2ccc(O)c(C)c2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is OIKWWOMQXXGDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-9-7-10(3-6-14(9)18)15(19)17-13-8-11(20-2)4-5-12(13)16/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide?
N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103956833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).