5-bromo-2-methyl-N-(2-methylpropyl)benzamide

C12H16BrNO — CID 65308117

IUPAC5-bromo-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(C)C
InChIInChI=1S/C12H16BrNO/c1-8(2)7-14-12(15)11-6-10(13)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyLJQKSKBJPVIPFU-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-2-methyl-N-(2-methylpropyl)benzamide

5-bromo-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 65308117) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID65308117
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name5-bromo-2-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(C)C
InChIInChI=1S/C12H16BrNO/c1-8(2)7-14-12(15)11-6-10(13)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyLJQKSKBJPVIPFU-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
CID 115648997
5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104
5-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 65309537
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
CID 111477730
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
CID 65307856
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-methylpropyl)benzamide (CID 65308117) is 5-bromo-2-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(Br)cc1C(=O)NCC(C)C.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is LJQKSKBJPVIPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8(2)7-14-12(15)11-6-10(13)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-2-methyl-N-(2-methylpropyl)benzamide?
5-bromo-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 270.17 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 65308117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).