N-acetyl-4-bromo-2-methoxybenzamide

C10H10BrNO3 — CID 115369201

IUPACN-acetyl-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)=O
InChIInChI=1S/C10H10BrNO3/c1-6(13)12-10(14)8-4-3-7(11)5-9(8)15-2/h3-5H,1-2H3,(H,12,13,14)
InChIKeyZDKDCWZGYMIRDT-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.73
Rot. Bonds2

About N-acetyl-4-bromo-2-methoxybenzamide

N-acetyl-4-bromo-2-methoxybenzamide (PubChem CID 115369201) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is N-acetyl-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-acetyl-4-bromo-2-methoxybenzamide
PubChem CID115369201
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC NameN-acetyl-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)=O
InChIInChI=1S/C10H10BrNO3/c1-6(13)12-10(14)8-4-3-7(11)5-9(8)15-2/h3-5H,1-2H3,(H,12,13,14)
InChIKeyZDKDCWZGYMIRDT-UHFFFAOYSA-N
XLogP1.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
4-bromo-2-methoxy-N',N'-dimethylbenzohydrazide
CID 83015811
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
[(4-bromo-2-methoxybenzoyl)amino] 2,2-dimethylpropanoate
CID 146273207
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462

Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-bromo-2-methoxybenzamide?
The IUPAC name of N-acetyl-4-bromo-2-methoxybenzamide (CID 115369201) is N-acetyl-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-acetyl-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-acetyl-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC(C)=O.
What is the InChIKey of N-acetyl-4-bromo-2-methoxybenzamide?
The InChIKey is ZDKDCWZGYMIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-6(13)12-10(14)8-4-3-7(11)5-9(8)15-2/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of N-acetyl-4-bromo-2-methoxybenzamide?
N-acetyl-4-bromo-2-methoxybenzamide has a molecular weight of 272.10 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 115369201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).