4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide

C11H14BrNO3 — CID 65110103

IUPAC4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C11H14BrNO3/c1-11(2,16)6-13-10(15)8-4-3-7(12)5-9(8)14/h3-5,14,16H,6H2,1-2H3,(H,13,15)
InChIKeyJFDJFMXGYBKZPA-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.66
Rot. Bonds3

About 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide

4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 65110103) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID65110103
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC(C)(O)CNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C11H14BrNO3/c1-11(2,16)6-13-10(15)8-4-3-7(12)5-9(8)14/h3-5,14,16H,6H2,1-2H3,(H,13,15)
InChIKeyJFDJFMXGYBKZPA-UHFFFAOYSA-N
XLogP1.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
CID 83120499
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
2-[(4-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79793336
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-hydroxybenzamide
CID 103841103

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide (CID 65110103) is 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide is CC(C)(O)CNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is JFDJFMXGYBKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-11(2,16)6-13-10(15)8-4-3-7(12)5-9(8)14/h3-5,14,16H,6H2,1-2H3,(H,13,15).
What are the key properties of 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide?
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 288.14 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 65110103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).