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

C15H14BrNO3 — CID 91674531

IUPACN-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(C)c(O)c(Br)c2)c1
InChIInChI=1S/C15H14BrNO3/c1-9-6-11(8-13(16)14(9)18)17-15(19)10-4-3-5-12(7-10)20-2/h3-8,18H,1-2H3,(H,17,19)
InChIKeyGHGFJSMANGLGGO-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.72
Rot. Bonds3

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

N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide (PubChem CID 91674531) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
PubChem CID91674531
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC NameN-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(C)c(O)c(Br)c2)c1
InChIInChI=1S/C15H14BrNO3/c1-9-6-11(8-13(16)14(9)18)17-15(19)10-4-3-5-12(7-10)20-2/h3-8,18H,1-2H3,(H,17,19)
InChIKeyGHGFJSMANGLGGO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 91674602
N-(4-bromo-2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 19172117
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-3-methoxybenzamide
CID 78874679
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide?
The IUPAC name of N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide (CID 91674531) is N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide.
What is the SMILES notation for N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide?
The canonical SMILES for N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(C)c(O)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide?
The InChIKey is GHGFJSMANGLGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-9-6-11(8-13(16)14(9)18)17-15(19)10-4-3-5-12(7-10)20-2/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide?
N-(3-bromo-4-hydroxy-5-methylphenyl)-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-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 91674531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).