N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide

C11H13Br2NO3 — CID 107729059

IUPACN-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide
SMILESCC(CBr)(CBr)NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H13Br2NO3/c1-11(5-12,6-13)14-10(17)7-2-3-8(15)9(16)4-7/h2-4,15-16H,5-6H2,1H3,(H,14,17)
InChIKeyDKPORNCLUSNWTD-UHFFFAOYSA-N
MW367.04 g/mol
LogP2.38
Rot. Bonds4

About N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide

N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide (PubChem CID 107729059) has the molecular formula C11H13Br2NO3 and a molecular weight of 367.04 g/mol. Its IUPAC name is N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide
PubChem CID107729059
Molecular FormulaC11H13Br2NO3
Molecular Weight367.04 g/mol
Exact Mass364.93
IUPAC NameN-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide
SMILESCC(CBr)(CBr)NC(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C11H13Br2NO3/c1-11(5-12,6-13)14-10(17)7-2-3-8(15)9(16)4-7/h2-4,15-16H,5-6H2,1H3,(H,14,17)
InChIKeyDKPORNCLUSNWTD-UHFFFAOYSA-N
XLogP2.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methylbutan-2-yl)-3,4-dihydroxybenzamide
CID 107727561
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428
N-(1-bromo-2-methylbutan-2-yl)-3,4-diethoxybenzamide
CID 114314436
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
N-(3,4-dihydroxybenzoyl)-3,4-dihydroxybenzamide
CID 52913696
N-(3-chloro-2,2-dimethylpropyl)-3,4-dihydroxybenzamide
CID 107729054
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-hydroxy-4-methylbenzamide
CID 107867926
N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114314575
N-(1-bromo-2-methylbutan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 114314492
N-(1-bromo-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 114314347
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide (CID 107729059) is N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide is CC(CBr)(CBr)NC(=O)c1ccc(O)c(O)c1.
What is the InChIKey of N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide?
The InChIKey is DKPORNCLUSNWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3/c1-11(5-12,6-13)14-10(17)7-2-3-8(15)9(16)4-7/h2-4,15-16H,5-6H2,1H3,(H,14,17).
What are the key properties of N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide?
N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide has a molecular weight of 367.04 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dibromo-2-methylpropan-2-yl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 107729059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).