5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide

C14H18BrNO2 — CID 65307856

IUPAC5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C14H18BrNO2/c1-9-5-6-10(15)7-11(9)13(18)16-8-12(17)14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyXOWOPYBHCVUVKK-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide

5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide (PubChem CID 65307856) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
PubChem CID65307856
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C14H18BrNO2/c1-9-5-6-10(15)7-11(9)13(18)16-8-12(17)14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyXOWOPYBHCVUVKK-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
5-bromo-2-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 65306800
5-bromo-N-(2-cyano-2-methylpropyl)-2-methylbenzamide
CID 113372673
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104
4-bromo-N-(3,3-dimethyl-2-oxobutyl)-3-methylbenzamide
CID 112706643
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide (CID 65307856) is 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCC(=O)C(C)(C)C.
What is the InChIKey of 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide?
The InChIKey is XOWOPYBHCVUVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-5-6-10(15)7-11(9)13(18)16-8-12(17)14(2,3)4/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide?
5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide has a molecular weight of 312.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-dimethyl-2-oxobutyl)-2-methylbenzamide is sourced from PubChem (CID 65307856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).