2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide

C13H18BrNO — CID 115649433

IUPAC2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
SMILESCC(Cc1ccccc1)NC(=O)C(C)(C)Br
InChIInChI=1S/C13H18BrNO/c1-10(15-12(16)13(2,3)14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyCHRYBMRRINHIFZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.91
Rot. Bonds4

About 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide

2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide (PubChem CID 115649433) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
PubChem CID115649433
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide
SMILESCC(Cc1ccccc1)NC(=O)C(C)(C)Br
InChIInChI=1S/C13H18BrNO/c1-10(15-12(16)13(2,3)14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyCHRYBMRRINHIFZ-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-phenyl-N-(1-phenylpropan-2-yl)propanamide
CID 63011622
2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 79810676
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
2-(aminomethyl)-4,4-dimethyl-N-(1-phenylpropan-2-yl)pentanamide
CID 107472103
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
2-[(2-methylpropan-2-yl)oxy]-N-(1-phenylpropan-2-yl)acetamide
CID 112605295
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide (CID 115649433) is 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide is CC(Cc1ccccc1)NC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide?
The InChIKey is CHRYBMRRINHIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(15-12(16)13(2,3)14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide?
2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide has a molecular weight of 284.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(1-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 115649433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).