N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide

C14H20BrNO2 — CID 107673096

IUPACN-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(CBr)CC(C)C
InChIInChI=1S/C14H20BrNO2/c1-9(2)6-11(8-15)16-14(18)13-5-4-12(17)7-10(13)3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyGHXIIWPNOHMHDF-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.24
Rot. Bonds5

About N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide

N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide (PubChem CID 107673096) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide
PubChem CID107673096
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(CBr)CC(C)C
InChIInChI=1S/C14H20BrNO2/c1-9(2)6-11(8-15)16-14(18)13-5-4-12(17)7-10(13)3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyGHXIIWPNOHMHDF-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.24
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-methylpentan-2-yl)-2,5-dimethylbenzamide
CID 113274960
N-(1-bromopentan-3-yl)-4-hydroxy-2-methylbenzamide
CID 107673198
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091
4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 103865756
N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222
N-(1-bromo-4-methylpentan-2-yl)-3-chloro-4-hydroxybenzamide
CID 114311603
N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865375
N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865517
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 104860755

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide (CID 107673096) is N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC(CBr)CC(C)C.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide?
The InChIKey is GHXIIWPNOHMHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(2)6-11(8-15)16-14(18)13-5-4-12(17)7-10(13)3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18).
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide?
N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide has a molecular weight of 314.22 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107673096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).