2-bromo-N-ethyl-N,6-dimethylbenzamide

C11H14BrNO — CID 130664662

IUPAC2-bromo-N-ethyl-N,6-dimethylbenzamide
SMILESCCN(C)C(=O)c1c(C)cccc1Br
InChIInChI=1S/C11H14BrNO/c1-4-13(3)11(14)10-8(2)6-5-7-9(10)12/h5-7H,4H2,1-3H3
InChIKeyAMHZMFMLGFMGAK-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.85
Rot. Bonds2

About 2-bromo-N-ethyl-N,6-dimethylbenzamide

2-bromo-N-ethyl-N,6-dimethylbenzamide (PubChem CID 130664662) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N,6-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N,6-dimethylbenzamide
PubChem CID130664662
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-bromo-N-ethyl-N,6-dimethylbenzamide
SMILESCCN(C)C(=O)c1c(C)cccc1Br
InChIInChI=1S/C11H14BrNO/c1-4-13(3)11(14)10-8(2)6-5-7-9(10)12/h5-7H,4H2,1-3H3
InChIKeyAMHZMFMLGFMGAK-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
2-bromo-N',N',6-trimethylbenzohydrazide
CID 126989510
1-(2-bromo-6-methylphenyl)-2-chloroethanone
CID 130742601
N-(2-hydroxypropyl)-N,2,6-trimethylbenzamide
CID 103769304
3-(2,6-dibromophenyl)-1-ethyl-1-methylurea
CID 103867576
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
CID 113258432
2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide
CID 130774849
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767
N-ethyl-N,2,4-trimethylfuran-3-carboxamide
CID 131084548
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N,6-dimethylbenzamide?
The IUPAC name of 2-bromo-N-ethyl-N,6-dimethylbenzamide (CID 130664662) is 2-bromo-N-ethyl-N,6-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N,6-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-ethyl-N,6-dimethylbenzamide is CCN(C)C(=O)c1c(C)cccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N,6-dimethylbenzamide?
The InChIKey is AMHZMFMLGFMGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-4-13(3)11(14)10-8(2)6-5-7-9(10)12/h5-7H,4H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-N,6-dimethylbenzamide?
2-bromo-N-ethyl-N,6-dimethylbenzamide has a molecular weight of 256.14 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N,6-dimethylbenzamide is sourced from PubChem (CID 130664662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).