N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide

C11H14BrNO3 — CID 107726046

IUPACN-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
SMILESCC(CBr)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H14BrNO3/c1-7(5-12)6-13-11(16)9-3-2-8(14)4-10(9)15/h2-4,7,14-15H,5-6H2,1H3,(H,13,16)
InChIKeyLTLHWPZECPKNEO-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.86
Rot. Bonds4

About N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide

N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide (PubChem CID 107726046) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
PubChem CID107726046
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameN-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
SMILESCC(CBr)CNC(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H14BrNO3/c1-7(5-12)6-13-11(16)9-3-2-8(14)4-10(9)15/h2-4,7,14-15H,5-6H2,1H3,(H,13,16)
InChIKeyLTLHWPZECPKNEO-UHFFFAOYSA-N
XLogP1.86
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dihydroxy-N-(2-methylbutyl)benzamide
CID 107722914
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
N-(2-aminopropyl)-2,4-dihydroxybenzamide
CID 63733125
N-(3-bromo-2-methylpropyl)-2-hydroxy-5-methylbenzamide
CID 114313317
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
CID 103714393
4-chloro-2-hydroxy-N-(2-methylbutyl)benzamide
CID 62692259
2-hydroxy-4-methoxy-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 115302649
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
CID 107726128
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
N-(3-bromo-2-methylpropyl)-4-methylthiophene-3-carboxamide
CID 114313291

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide (CID 107726046) is N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide is CC(CBr)CNC(=O)c1ccc(O)cc1O.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide?
The InChIKey is LTLHWPZECPKNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(5-12)6-13-11(16)9-3-2-8(14)4-10(9)15/h2-4,7,14-15H,5-6H2,1H3,(H,13,16).
What are the key properties of N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide?
N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide has a molecular weight of 288.14 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 107726046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).