4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide

C13H18BrNO2 — CID 78987462

IUPAC4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C13H18BrNO2/c1-5-13(2,3)15-12(16)10-7-6-9(14)8-11(10)17-4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyBRHMPWQZDQTSIM-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.38
Rot. Bonds4

About 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide

4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide (PubChem CID 78987462) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
PubChem CID78987462
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(Br)cc1OC
InChIInChI=1S/C13H18BrNO2/c1-5-13(2,3)15-12(16)10-7-6-9(14)8-11(10)17-4/h6-8H,5H2,1-4H3,(H,15,16)
InChIKeyBRHMPWQZDQTSIM-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxybenzamide
CID 107865880
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methoxybenzamide
CID 114010993
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
[(4-bromo-2-methoxybenzoyl)amino] 2,2-dimethylpropanoate
CID 146273207
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
4-bromo-2-methoxy-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79676470
methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate
CID 122146105

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide (CID 78987462) is 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(Br)cc1OC.
What is the InChIKey of 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is BRHMPWQZDQTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-5-13(2,3)15-12(16)10-7-6-9(14)8-11(10)17-4/h6-8H,5H2,1-4H3,(H,15,16).
What are the key properties of 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide?
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 78987462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).