N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide

C15H14BrNO3 — CID 24703596

IUPACN-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C)cc2Br)c1O
InChIInChI=1S/C15H14BrNO3/c1-9-6-7-12(11(16)8-9)17-15(19)10-4-3-5-13(20-2)14(10)18/h3-8,18H,1-2H3,(H,17,19)
InChIKeyNPOKNPZWKNQJGK-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.72
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide

N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 24703596) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
PubChem CID24703596
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C)cc2Br)c1O
InChIInChI=1S/C15H14BrNO3/c1-9-6-7-12(11(16)8-9)17-15(19)10-4-3-5-13(20-2)14(10)18/h3-8,18H,1-2H3,(H,17,19)
InChIKeyNPOKNPZWKNQJGK-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-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
N-(4-bromo-2,3-dichlorophenyl)-2-hydroxy-3-methoxybenzamide
CID 107791061
N-(5-bromo-4-fluoro-2-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 103278127
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699
N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 54784469
N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60715660
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
1-(2-bromo-4-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892354
N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide
CID 54784480
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
2-hydroxy-3-methoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 29286272

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide (CID 24703596) is N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(C)cc2Br)c1O.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is NPOKNPZWKNQJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-9-6-7-12(11(16)8-9)17-15(19)10-4-3-5-13(20-2)14(10)18/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide?
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide 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-4-methylphenyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 24703596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).