5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide

C11H12BrNO3 — CID 107729642

IUPAC5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H12BrNO3/c1-6(7(2)14)13-11(16)9-5-8(12)3-4-10(9)15/h3-6,15H,1-2H3,(H,13,16)
InChIKeyTZTKFUTTWASLLQ-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.86
Rot. Bonds3

About 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide

5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide (PubChem CID 107729642) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
PubChem CID107729642
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Name5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H12BrNO3/c1-6(7(2)14)13-11(16)9-5-8(12)3-4-10(9)15/h3-6,15H,1-2H3,(H,13,16)
InChIKeyTZTKFUTTWASLLQ-UHFFFAOYSA-N
XLogP1.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107722174
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185
N-[1-(benzylamino)-1-oxopropan-2-yl]-5-bromo-2-hydroxybenzamide
CID 60571641
(2S)-2-[(5-bromo-2-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 107729323
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 103722599
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872326
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide (CID 107729642) is 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide is CC(=O)C(C)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide?
The InChIKey is TZTKFUTTWASLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-6(7(2)14)13-11(16)9-5-8(12)3-4-10(9)15/h3-6,15H,1-2H3,(H,13,16).
What are the key properties of 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide?
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide has a molecular weight of 286.12 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 107729642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).