4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide

C12H16BrNO3 — CID 113429309

IUPAC4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C12H16BrNO3/c1-8(2)17-6-5-14-12(16)10-4-3-9(13)7-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyDDKXQTDEEXWJIP-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.31
Rot. Bonds5

About 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide

4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide (PubChem CID 113429309) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
PubChem CID113429309
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
SMILESCC(C)OCCNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C12H16BrNO3/c1-8(2)17-6-5-14-12(16)10-4-3-9(13)7-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyDDKXQTDEEXWJIP-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
4-bromo-2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83038903
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
CID 106156782
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
CID 83120499
5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766693
4-bromo-N-(2-but-3-enoxyethyl)-2-hydroxybenzamide
CID 103857022
4-bromo-N-(2-cyanoethyl)-2-hydroxybenzamide
CID 55210646
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
5-bromo-2-methyl-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766569
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 47435886
4-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 104765563

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide (CID 113429309) is 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide is CC(C)OCCNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide?
The InChIKey is DDKXQTDEEXWJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-8(2)17-6-5-14-12(16)10-4-3-9(13)7-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide?
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide has a molecular weight of 302.17 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide is sourced from PubChem (CID 113429309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).