N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide

C15H14BrNO3 — CID 60715660

IUPACN-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C15H14BrNO3/c1-9-3-5-13(12(16)7-9)17-15(19)11-8-10(20-2)4-6-14(11)18/h3-8,18H,1-2H3,(H,17,19)
InChIKeyZZBFROJJRANRPQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.72
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide

N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide (PubChem CID 60715660) 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-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
PubChem CID60715660
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C15H14BrNO3/c1-9-3-5-13(12(16)7-9)17-15(19)11-8-10(20-2)4-6-14(11)18/h3-8,18H,1-2H3,(H,17,19)
InChIKeyZZBFROJJRANRPQ-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-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
CID 18108995
N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206110
2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide
CID 112846311
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044
N-(4-amino-2,5-dimethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 103144431
2-amino-N-(2-hydroxy-4-methoxyphenyl)-5-methylbenzamide
CID 102695337
N-(2-amino-4-methoxyphenyl)-5-bromo-2-hydroxybenzamide
CID 107729175
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(3-amino-4-bromophenyl)-2-hydroxy-5-methoxybenzamide
CID 79768277
2-bromo-N-(3-hydroxy-2-methylphenyl)-5-methoxybenzamide
CID 64793819

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide (CID 60715660) is N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is ZZBFROJJRANRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-9-3-5-13(12(16)7-9)17-15(19)11-8-10(20-2)4-6-14(11)18/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide?
N-(2-bromo-4-methylphenyl)-2-hydroxy-5-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-5-methoxybenzamide is sourced from PubChem (CID 60715660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).