4-[2-(bromomethyl)-2-ethylbutoxy]benzamide

C14H20BrNO2 — CID 64998999

IUPAC4-[2-(bromomethyl)-2-ethylbutoxy]benzamide
SMILESCCC(CC)(CBr)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20BrNO2/c1-3-14(4-2,9-15)10-18-12-7-5-11(6-8-12)13(16)17/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17)
InChIKeyOHISPROHRPUVJS-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.37
Rot. Bonds7

About 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide

4-[2-(bromomethyl)-2-ethylbutoxy]benzamide (PubChem CID 64998999) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide.

Molecular Properties

Compound Name4-[2-(bromomethyl)-2-ethylbutoxy]benzamide
PubChem CID64998999
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-[2-(bromomethyl)-2-ethylbutoxy]benzamide
SMILESCCC(CC)(CBr)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H20BrNO2/c1-3-14(4-2,9-15)10-18-12-7-5-11(6-8-12)13(16)17/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17)
InChIKeyOHISPROHRPUVJS-UHFFFAOYSA-N
XLogP3.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.37
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

4-[2-(bromomethyl)-2-propylpentoxy]benzamide
CID 65005743
1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
CID 64998942
1-[4-[2-(bromomethyl)-2-ethylbutoxy]phenyl]propan-2-one
CID 113322922
1-bromo-4-[2-(bromomethyl)-2-ethylbutoxy]benzene
CID 64998409
methyl 4-[2-(bromomethyl)-2-propylpentoxy]benzoate
CID 65006433
4-(4-ethoxyphenyl)benzamide
CID 163572533
2-[4-[2-(bromomethyl)-2-ethylbutoxy]phenyl]acetonitrile
CID 64999046
4-(4-propoxyphenyl)benzamide
CID 23771495
4-[2-(bromomethyl)pentoxy]benzamide
CID 65011499
benzamide;1,4-diethoxybenzene
CID 162120306
2-(4-carbamoylphenoxy)-2-methylbutanoic acid
CID 114990324
4-[2-(bromomethyl)-3-methylbutoxy]benzamide
CID 65011599

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide?
The IUPAC name of 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide (CID 64998999) is 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide.
What is the SMILES notation for 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide?
The canonical SMILES for 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide is CCC(CC)(CBr)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide?
The InChIKey is OHISPROHRPUVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-14(4-2,9-15)10-18-12-7-5-11(6-8-12)13(16)17/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17).
What are the key properties of 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide?
4-[2-(bromomethyl)-2-ethylbutoxy]benzamide has a molecular weight of 314.22 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-2-ethylbutoxy]benzamide is sourced from PubChem (CID 64998999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).