N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide

C11H14BrNO3 — CID 107691089

IUPACN-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
SMILESCC(C)(CBr)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H14BrNO3/c1-11(2,6-12)13-10(16)9-7(14)4-3-5-8(9)15/h3-5,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyPXPBAJKTMOOARN-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.00
Rot. Bonds3

About N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide

N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide (PubChem CID 107691089) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
PubChem CID107691089
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
SMILESCC(C)(CBr)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H14BrNO3/c1-11(2,6-12)13-10(16)9-7(14)4-3-5-8(9)15/h3-5,14-15H,6H2,1-2H3,(H,13,16)
InChIKeyPXPBAJKTMOOARN-UHFFFAOYSA-N
XLogP2.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691058
N-(1-bromo-2-methylpropan-2-yl)-2,6-dimethoxybenzamide
CID 113274115
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
2,6-dihydroxy-N-(2-methylbut-3-yn-2-yl)benzamide
CID 107689396
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2,6-difluorobenzamide
CID 114308125
N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016993
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
CID 107690286
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,6-dihydroxybenzamide
CID 107867672
N-(3-carbamothioylpentan-3-yl)-2,6-dihydroxybenzamide
CID 107688677

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide (CID 107691089) is N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide is CC(C)(CBr)NC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide?
The InChIKey is PXPBAJKTMOOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-11(2,6-12)13-10(16)9-7(14)4-3-5-8(9)15/h3-5,14-15H,6H2,1-2H3,(H,13,16).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide?
N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide has a molecular weight of 288.14 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107691089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).