N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide

C16H16BrNO3 — CID 79737466

IUPACN-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1O
InChIInChI=1S/C16H16BrNO3/c1-9-6-12(17)7-10(2)15(9)18-16(20)11-4-5-14(21-3)13(19)8-11/h4-8,19H,1-3H3,(H,18,20)
InChIKeyLIBWOTRTDPMAIA-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.03
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide

N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 79737466) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
PubChem CID79737466
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1O
InChIInChI=1S/C16H16BrNO3/c1-9-6-12(17)7-10(2)15(9)18-16(20)11-4-5-14(21-3)13(19)8-11/h4-8,19H,1-3H3,(H,18,20)
InChIKeyLIBWOTRTDPMAIA-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
CID 82858870
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737127
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
CID 100801731
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
N-(2,4-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600823
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide (CID 79737466) is N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C)cc(Br)cc2C)cc1O.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is LIBWOTRTDPMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-9-6-12(17)7-10(2)15(9)18-16(20)11-4-5-14(21-3)13(19)8-11/h4-8,19H,1-3H3,(H,18,20).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 350.21 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79737466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).