N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide

C11H14BrNO2 — CID 114313254

IUPACN-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
SMILESCC(CBr)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C11H14BrNO2/c1-8(6-12)7-13-11(15)9-3-2-4-10(14)5-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyQDMLPHGBYFUMGB-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.15
Rot. Bonds4

About N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide

N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide (PubChem CID 114313254) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
PubChem CID114313254
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
SMILESCC(CBr)CNC(=O)c1cccc(O)c1
InChIInChI=1S/C11H14BrNO2/c1-8(6-12)7-13-11(15)9-3-2-4-10(14)5-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyQDMLPHGBYFUMGB-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
N-(3-bromo-2-methylpropyl)-3,4-dichlorobenzamide
CID 114313406
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
3-hydroxy-N-(2-hydroxybutyl)benzamide
CID 115577642
N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
CID 107726046
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
N-ethyl-3-hydroxybenzamide
CID 13175248
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
CID 114168739
6-bromo-N-(3-bromo-2-methylpropyl)naphthalene-2-carboxamide
CID 113292807
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313445
N-(3-bromo-2-methylpropyl)-2,6-dimethoxybenzamide
CID 113275338

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide?
The IUPAC name of N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide (CID 114313254) is N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide.
What is the SMILES notation for N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide?
The canonical SMILES for N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide is CC(CBr)CNC(=O)c1cccc(O)c1.
What is the InChIKey of N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide?
The InChIKey is QDMLPHGBYFUMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(6-12)7-13-11(15)9-3-2-4-10(14)5-9/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide?
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide is sourced from PubChem (CID 114313254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).