5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide

C12H17BrN2O2 — CID 64549076

IUPAC5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CO)NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-3-12(2,7-16)15-11(17)9-6-8(14)4-5-10(9)13/h4-6,16H,3,7,14H2,1-2H3,(H,15,17)
InChIKeySLAITCJHAUTBSS-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.92
Rot. Bonds4

About 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide

5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 64549076) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID64549076
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CO)NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C12H17BrN2O2/c1-3-12(2,7-16)15-11(17)9-6-8(14)4-5-10(9)13/h4-6,16H,3,7,14H2,1-2H3,(H,15,17)
InChIKeySLAITCJHAUTBSS-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
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

4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113372142
2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide
CID 113368412
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 107864346
2,4-dibromo-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 104920704
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
5-amino-2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498518

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide (CID 64549076) is 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide is CCC(C)(CO)NC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is SLAITCJHAUTBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-12(2,7-16)15-11(17)9-6-8(14)4-5-10(9)13/h4-6,16H,3,7,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 301.18 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 64549076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).