3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide

C12H17BrN2O2 — CID 113484652

IUPAC3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(CO)C(C)NC(=O)c1cccc(N)c1Br
InChIInChI=1S/C12H17BrN2O2/c1-7(6-16)8(2)15-12(17)9-4-3-5-10(14)11(9)13/h3-5,7-8,16H,6,14H2,1-2H3,(H,15,17)
InChIKeyVNPHJMOLGIWNSQ-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.78
Rot. Bonds4

About 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide

3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide (PubChem CID 113484652) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
PubChem CID113484652
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(CO)C(C)NC(=O)c1cccc(N)c1Br
InChIInChI=1S/C12H17BrN2O2/c1-7(6-16)8(2)15-12(17)9-4-3-5-10(14)11(9)13/h3-5,7-8,16H,6,14H2,1-2H3,(H,15,17)
InChIKeyVNPHJMOLGIWNSQ-UHFFFAOYSA-N
XLogP1.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-bromo-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 114150738
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2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
CID 113484642
3-amino-2-bromo-N-(1-hydroxypentan-3-yl)benzamide
CID 113495433
N-(4-hydroxy-3-methylbutan-2-yl)-2-sulfanylbenzamide
CID 107035471
3-amino-2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 113498897
3-amino-2-bromo-N-methylbenzamide
CID 100681188
3-amino-2-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 114008008
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742
N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 112700980
3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
CID 107316301
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide (CID 113484652) is 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide is CC(CO)C(C)NC(=O)c1cccc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The InChIKey is VNPHJMOLGIWNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-7(6-16)8(2)15-12(17)9-4-3-5-10(14)11(9)13/h3-5,7-8,16H,6,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide has a molecular weight of 301.18 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 113484652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).