N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide

C12H16BrNO2 — CID 114316832

IUPACN-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
SMILESCC(CCBr)CNC(=O)c1ccccc1O
InChIInChI=1S/C12H16BrNO2/c1-9(6-7-13)8-14-12(16)10-4-2-3-5-11(10)15/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeyFFEJSEQSIQZPON-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.54
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide

N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide (PubChem CID 114316832) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
PubChem CID114316832
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
SMILESCC(CCBr)CNC(=O)c1ccccc1O
InChIInChI=1S/C12H16BrNO2/c1-9(6-7-13)8-14-12(16)10-4-2-3-5-11(10)15/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeyFFEJSEQSIQZPON-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.54
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

N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
CID 114316791
N-(4-bromo-2-methylbutyl)-2,3-difluorobenzamide
CID 114316854
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
N-(4-bromo-2-methylbutyl)-2-methylpyridine-3-carboxamide
CID 114316893
N-(4-bromo-2-methylbutyl)-2,5-dichlorobenzamide
CID 114316716
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754
N-(4-bromo-2-methylbutyl)-3-hydroxy-4-methylbenzamide
CID 114316818
4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
2-hydroxy-N-(2-methylsulfinylpropyl)benzamide
CID 115765209

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide (CID 114316832) is N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide is CC(CCBr)CNC(=O)c1ccccc1O.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide?
The InChIKey is FFEJSEQSIQZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(6-7-13)8-14-12(16)10-4-2-3-5-11(10)15/h2-5,9,15H,6-8H2,1H3,(H,14,16).
What are the key properties of N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide?
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide has a molecular weight of 286.17 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide is sourced from PubChem (CID 114316832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).