4-bromo-2,6-diethylbenzamide

C11H14BrNO — CID 68757322

IUPAC4-bromo-2,6-diethylbenzamide
SMILESCCc1cc(Br)cc(CC)c1C(N)=O
InChIInChI=1S/C11H14BrNO/c1-3-7-5-9(12)6-8(4-2)10(7)11(13)14/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyQVFMLSIUCHBRQQ-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.67
Rot. Bonds3

About 4-bromo-2,6-diethylbenzamide

4-bromo-2,6-diethylbenzamide (PubChem CID 68757322) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-bromo-2,6-diethylbenzamide.

Molecular Properties

Compound Name4-bromo-2,6-diethylbenzamide
PubChem CID68757322
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-bromo-2,6-diethylbenzamide
SMILESCCc1cc(Br)cc(CC)c1C(N)=O
InChIInChI=1S/C11H14BrNO/c1-3-7-5-9(12)6-8(4-2)10(7)11(13)14/h5-6H,3-4H2,1-2H3,(H2,13,14)
InChIKeyQVFMLSIUCHBRQQ-UHFFFAOYSA-N
XLogP2.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromobenzamide
CID 69683
3-Bromobenzamide
CID 89807
2,3-Dimethylbenzamide
CID 2800987
4-Bromo-2-methyl-benzenecarbohydroxamic acid
CID 43629944
2,4,6-Trimethylbenzamide
CID 246686
1-Bromonaphthalene-2-carboxamide
CID 53879169
2,6-Dimethylbenzamide
CID 136406
Benzamide, N-(2-bromoallyl)-
CID 59676
2-(4-Bromobenzoyl)benzamide
CID 18331976
4-Bromo-3,5-Dimethyl-Benzamide
CID 25417812
5-Bromo-2-methylbenzamide
CID 20616770
6-bromo-N-hydroxynaphthalene-2-carboxamide
CID 24860339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-diethylbenzamide?
The IUPAC name of 4-bromo-2,6-diethylbenzamide (CID 68757322) is 4-bromo-2,6-diethylbenzamide.
What is the SMILES notation for 4-bromo-2,6-diethylbenzamide?
The canonical SMILES for 4-bromo-2,6-diethylbenzamide is CCc1cc(Br)cc(CC)c1C(N)=O.
What is the InChIKey of 4-bromo-2,6-diethylbenzamide?
The InChIKey is QVFMLSIUCHBRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-7-5-9(12)6-8(4-2)10(7)11(13)14/h5-6H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 4-bromo-2,6-diethylbenzamide?
4-bromo-2,6-diethylbenzamide has a molecular weight of 256.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-diethylbenzamide is sourced from PubChem (CID 68757322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).