2-[2-(bromomethyl)butoxy]benzamide

C12H16BrNO2 — CID 64995210

IUPAC2-[2-(bromomethyl)butoxy]benzamide
SMILESCCC(CBr)COc1ccccc1C(N)=O
InChIInChI=1S/C12H16BrNO2/c1-2-9(7-13)8-16-11-6-4-3-5-10(11)12(14)15/h3-6,9H,2,7-8H2,1H3,(H2,14,15)
InChIKeyZAWOTORKQRPNRY-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.59
Rot. Bonds6

About 2-[2-(bromomethyl)butoxy]benzamide

2-[2-(bromomethyl)butoxy]benzamide (PubChem CID 64995210) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[2-(bromomethyl)butoxy]benzamide.

Molecular Properties

Compound Name2-[2-(bromomethyl)butoxy]benzamide
PubChem CID64995210
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-[2-(bromomethyl)butoxy]benzamide
SMILESCCC(CBr)COc1ccccc1C(N)=O
InChIInChI=1S/C12H16BrNO2/c1-2-9(7-13)8-16-11-6-4-3-5-10(11)12(14)15/h3-6,9H,2,7-8H2,1H3,(H2,14,15)
InChIKeyZAWOTORKQRPNRY-UHFFFAOYSA-N
XLogP2.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
CID 154452638
1-[2-(bromomethyl)butoxy]-2-chlorobenzene
CID 64995502
1-[2-(bromomethyl)butoxy]-2-propoxybenzene
CID 64995150
2-(3-amino-2-ethoxypropoxy)benzamide
CID 63069875
2-amino-3-(2-carbamoylphenoxy)propanoic acid
CID 65441784
1-[5-bromo-2-[2-(bromomethyl)butoxy]phenyl]ethanone
CID 64995105
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
CID 174954511
CID 174954511
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(methylsulfonylmethoxy)benzamide
CID 118665617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)butoxy]benzamide?
The IUPAC name of 2-[2-(bromomethyl)butoxy]benzamide (CID 64995210) is 2-[2-(bromomethyl)butoxy]benzamide.
What is the SMILES notation for 2-[2-(bromomethyl)butoxy]benzamide?
The canonical SMILES for 2-[2-(bromomethyl)butoxy]benzamide is CCC(CBr)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(bromomethyl)butoxy]benzamide?
The InChIKey is ZAWOTORKQRPNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-2-9(7-13)8-16-11-6-4-3-5-10(11)12(14)15/h3-6,9H,2,7-8H2,1H3,(H2,14,15).
What are the key properties of 2-[2-(bromomethyl)butoxy]benzamide?
2-[2-(bromomethyl)butoxy]benzamide has a molecular weight of 286.17 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)butoxy]benzamide is sourced from PubChem (CID 64995210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).