2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide

C12H17BrN2O — CID 43712521

IUPAC2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
SMILESCc1ccc(Br)cc1NC(=O)C(N)C(C)C
InChIInChI=1S/C12H17BrN2O/c1-7(2)11(14)12(16)15-10-6-9(13)5-4-8(10)3/h4-7,11H,14H2,1-3H3,(H,15,16)
InChIKeyXFKSCOYGLQOSKZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.68
Rot. Bonds3

About 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide

2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide (PubChem CID 43712521) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
PubChem CID43712521
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
SMILESCc1ccc(Br)cc1NC(=O)C(N)C(C)C
InChIInChI=1S/C12H17BrN2O/c1-7(2)11(14)12(16)15-10-6-9(13)5-4-8(10)3/h4-7,11H,14H2,1-3H3,(H,15,16)
InChIKeyXFKSCOYGLQOSKZ-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,5-dibromophenyl)-3-methylbutanamide
CID 43714180
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-3-methylbutanamide
CID 114002534
(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 79013470
3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
CID 115180320
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide (CID 43712521) is 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide is Cc1ccc(Br)cc1NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide?
The InChIKey is XFKSCOYGLQOSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-7(2)11(14)12(16)15-10-6-9(13)5-4-8(10)3/h4-7,11H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide?
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 43712521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).