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

C12H16BrNO2 — CID 114308173

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)(C)CBr
InChIInChI=1S/C12H16BrNO2/c1-12(2,8-13)14-11(15)9-6-4-5-7-10(9)16-3/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyYWJFFERNQHLJKP-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.60
Rot. Bonds4

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

N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide (PubChem CID 114308173) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
PubChem CID114308173
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)(C)CBr
InChIInChI=1S/C12H16BrNO2/c1-12(2,8-13)14-11(15)9-6-4-5-7-10(9)16-3/h4-7H,8H2,1-3H3,(H,14,15)
InChIKeyYWJFFERNQHLJKP-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dimethoxybenzamide
CID 113274115
N-(1-bromo-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 113274119
2-methoxy-N-(2-phenylbutan-2-yl)benzamide
CID 86899366
2-methoxybenzohydrazide
CID 24051
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
N-(1-bromo-2-methylpropan-2-yl)-3,4,5-trimethoxybenzamide
CID 114307867
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxy-3-methoxybenzamide
CID 114010988

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide (CID 114308173) is N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)NC(C)(C)CBr.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide?
The InChIKey is YWJFFERNQHLJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-12(2,8-13)14-11(15)9-6-4-5-7-10(9)16-3/h4-7H,8H2,1-3H3,(H,14,15).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide?
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 114308173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).