N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide

C14H20BrNO2 — CID 106356170

IUPACN-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
SMILESCC(C)(C)C(CCBr)NC(=O)c1ccccc1O
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)12(8-9-15)16-13(18)10-6-4-5-7-11(10)17/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyPJBJYKOYLKOARN-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.32
Rot. Bonds4

About N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide

N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide (PubChem CID 106356170) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
PubChem CID106356170
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide
SMILESCC(C)(C)C(CCBr)NC(=O)c1ccccc1O
InChIInChI=1S/C14H20BrNO2/c1-14(2,3)12(8-9-15)16-13(18)10-6-4-5-7-11(10)17/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyPJBJYKOYLKOARN-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.32
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-(1-bromo-4,4-dimethylpentan-3-yl)-3-hydroxy-2-methylbenzamide
CID 114178025
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356172
N-(1-bromo-4,4-dimethylpentan-3-yl)-4-chloro-2-hydroxybenzamide
CID 114177999
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106356090
N-(1-bromo-4,4-dimethylpentan-3-yl)naphthalene-2-carboxamide
CID 106356124
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
4-bromo-N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methoxybenzamide
CID 106356212
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
N-(1-bromo-4,4-dimethylpentan-3-yl)pyrimidine-5-carboxamide
CID 106356037
N-(1-amino-4,4-dimethylpentan-3-yl)naphthalene-1-carboxamide
CID 106357235
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
CID 106357259

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide?
The IUPAC name of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide (CID 106356170) is N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide.
What is the SMILES notation for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide?
The canonical SMILES for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide is CC(C)(C)C(CCBr)NC(=O)c1ccccc1O.
What is the InChIKey of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide?
The InChIKey is PJBJYKOYLKOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,3)12(8-9-15)16-13(18)10-6-4-5-7-11(10)17/h4-7,12,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide?
N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide has a molecular weight of 314.22 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4,4-dimethylpentan-3-yl)-2-hydroxybenzamide is sourced from PubChem (CID 106356170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).