N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide

C15H14BrNO4 — CID 82858870

IUPACN-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(OC)c(O)c2)c1
InChIInChI=1S/C15H14BrNO4/c1-20-12-7-10(16)6-11(8-12)17-15(19)9-3-4-14(21-2)13(18)5-9/h3-8,18H,1-2H3,(H,17,19)
InChIKeyVGKVJOJZMNEWMX-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.42
Rot. Bonds4

About N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide

N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 82858870) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
PubChem CID82858870
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC NameN-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(OC)c(O)c2)c1
InChIInChI=1S/C15H14BrNO4/c1-20-12-7-10(16)6-11(8-12)17-15(19)9-3-4-14(21-2)13(18)5-9/h3-8,18H,1-2H3,(H,17,19)
InChIKeyVGKVJOJZMNEWMX-UHFFFAOYSA-N
XLogP3.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
3-amino-N-(3-bromo-5-methoxyphenyl)-4-chlorobenzamide
CID 82857386
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114310808
2-amino-N-(3-bromo-5-methoxyphenyl)pyridine-4-carboxamide
CID 82859642
3-hydroxy-4-methoxy-N-thiophen-3-ylbenzamide
CID 79601178
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide (CID 82858870) is N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide is COc1cc(Br)cc(NC(=O)c2ccc(OC)c(O)c2)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is VGKVJOJZMNEWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-20-12-7-10(16)6-11(8-12)17-15(19)9-3-4-14(21-2)13(18)5-9/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide?
N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 352.18 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 82858870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).