5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide

C14H20BrNO3 — CID 107729906

IUPAC5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H20BrNO3/c1-9(2)7-14(3,19)8-16-13(18)11-6-10(15)4-5-12(11)17/h4-6,9,17,19H,7-8H2,1-3H3,(H,16,18)
InChIKeyZYMGOLKFYRYSCE-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.68
Rot. Bonds5

About 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide

5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (PubChem CID 107729906) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
PubChem CID107729906
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H20BrNO3/c1-9(2)7-14(3,19)8-16-13(18)11-6-10(15)4-5-12(11)17/h4-6,9,17,19H,7-8H2,1-3H3,(H,16,18)
InChIKeyZYMGOLKFYRYSCE-UHFFFAOYSA-N
XLogP2.68
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-hydroxybenzamide
CID 103841103
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-3-carboxamide
CID 66180153
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (CID 107729906) is 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is CC(C)CC(C)(O)CNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The InChIKey is ZYMGOLKFYRYSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-9(2)7-14(3,19)8-16-13(18)11-6-10(15)4-5-12(11)17/h4-6,9,17,19H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide has a molecular weight of 330.22 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is sourced from PubChem (CID 107729906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).