N-(1-bromo-2-methylpropan-2-yl)benzamide

C11H14BrNO — CID 114308136

IUPACN-(1-bromo-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CBr)NC(=O)c1ccccc1
InChIInChI=1S/C11H14BrNO/c1-11(2,8-12)13-10(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyBAZACPKIADGEFS-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.59
Rot. Bonds3

About N-(1-bromo-2-methylpropan-2-yl)benzamide

N-(1-bromo-2-methylpropan-2-yl)benzamide (PubChem CID 114308136) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)benzamide
PubChem CID114308136
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CBr)NC(=O)c1ccccc1
InChIInChI=1S/C11H14BrNO/c1-11(2,8-12)13-10(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyBAZACPKIADGEFS-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691089
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
N-(1-bromo-2-methylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116629348
N-(1-bromo-2-methylpropan-2-yl)-3-(difluoromethoxy)benzamide
CID 114308024
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 69072058
N-(1-bromo-2-methylpropan-2-yl)-2,6-dimethoxybenzamide
CID 113274115
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
N-(1-bromo-2-methylpropan-2-yl)-2-phenylsulfanylacetamide
CID 114308012
N-(1-bromo-2-methylpropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114308191

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)benzamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)benzamide (CID 114308136) is N-(1-bromo-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)benzamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)benzamide is CC(C)(CBr)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)benzamide?
The InChIKey is BAZACPKIADGEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(2,8-12)13-10(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)benzamide?
N-(1-bromo-2-methylpropan-2-yl)benzamide has a molecular weight of 256.14 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 114308136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).