2-bromo-N-(2-methylbutan-2-yl)benzamide

C12H16BrNO — CID 24700588

IUPAC2-bromo-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-4-12(2,3)14-11(15)9-7-5-6-8-10(9)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyAIIZWWSBCWLPCV-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.37
Rot. Bonds3

About 2-bromo-N-(2-methylbutan-2-yl)benzamide

2-bromo-N-(2-methylbutan-2-yl)benzamide (PubChem CID 24700588) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylbutan-2-yl)benzamide
PubChem CID24700588
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccccc1Br
InChIInChI=1S/C12H16BrNO/c1-4-12(2,3)14-11(15)9-7-5-6-8-10(9)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyAIIZWWSBCWLPCV-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (2R)-2-[(2-bromobenzoyl)amino]-2-methylbutanoate
CID 94797947
2-(2-methylbutan-2-ylcarbamoyl)benzenesulfonic acid
CID 89214809
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
3-hydroxy-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 43403898
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 46554811
2-bromo-N-(2,2-dimethylpropanethioyl)benzamide
CID 15122719
2-[(3-bromo-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 79792649
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
CID 62661471
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
2-(2,4,4-trimethylhexan-2-ylcarbamoyl)benzoic acid
CID 171508539
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-methylbutan-2-yl)benzamide (CID 24700588) is 2-bromo-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is AIIZWWSBCWLPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-4-12(2,3)14-11(15)9-7-5-6-8-10(9)13/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-methylbutan-2-yl)benzamide?
2-bromo-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 270.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 24700588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).