2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide

C13H17BrN2O3 — CID 163212007

IUPAC2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1Br)C(=O)NO
InChIInChI=1S/C13H17BrN2O3/c1-8(2)7-11(13(18)16-19)15-12(17)9-5-3-4-6-10(9)14/h3-6,8,11,19H,7H2,1-2H3,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyWIMJUBQACSGXRC-LLVKDONJSA-N
MW329.19 g/mol
LogP2.10
Rot. Bonds5

About 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide

2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 163212007) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID163212007
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1Br)C(=O)NO
InChIInChI=1S/C13H17BrN2O3/c1-8(2)7-11(13(18)16-19)15-12(17)9-5-3-4-6-10(9)14/h3-6,8,11,19H,7H2,1-2H3,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyWIMJUBQACSGXRC-LLVKDONJSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103994750
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 54877519
2-bromo-N-(1-bromo-3-methylbutan-2-yl)benzamide
CID 114315987
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]benzoic acid
CID 60940712
N-(4-aminobutan-2-yl)-2-bromobenzamide
CID 139298037
2-iodo-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776174
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid
CID 104916277
2-bromo-N-[1-(1-hydroxypropan-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 78857059
2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 3847081
2-methyl-N-[4-methyl-1-(5-methylhexan-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 112789345

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide (CID 163212007) is 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)C[C@@H](NC(=O)c1ccccc1Br)C(=O)NO.
What is the InChIKey of 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is WIMJUBQACSGXRC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-8(2)7-11(13(18)16-19)15-12(17)9-5-3-4-6-10(9)14/h3-6,8,11,19H,7H2,1-2H3,(H,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide?
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 329.19 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 163212007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).