3-bromo-N-(2-phenylpropan-2-yl)propanamide

C12H16BrNO — CID 13142348

IUPAC3-bromo-N-(2-phenylpropan-2-yl)propanamide
SMILESCC(C)(NC(=O)CCBr)c1ccccc1
InChIInChI=1S/C12H16BrNO/c1-12(2,14-11(15)8-9-13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyTZDDOWUNJQVBNQ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.82
Rot. Bonds4

About 3-bromo-N-(2-phenylpropan-2-yl)propanamide

3-bromo-N-(2-phenylpropan-2-yl)propanamide (PubChem CID 13142348) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-N-(2-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(2-phenylpropan-2-yl)propanamide
PubChem CID13142348
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-bromo-N-(2-phenylpropan-2-yl)propanamide
SMILESCC(C)(NC(=O)CCBr)c1ccccc1
InChIInChI=1S/C12H16BrNO/c1-12(2,14-11(15)8-9-13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyTZDDOWUNJQVBNQ-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.82
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

3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105057894
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4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
CID 14230778
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
2-phenylpropan-2-ylcarbamic acid
CID 23445609
(Z)-N-(2-phenylpropan-2-yl)octadec-9-enamide
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N-(2-phenylpropan-2-yl)octadec-9-enamide;hydrochloride
CID 173172473
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
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2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-phenylpropan-2-yl)propanamide?
The IUPAC name of 3-bromo-N-(2-phenylpropan-2-yl)propanamide (CID 13142348) is 3-bromo-N-(2-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 3-bromo-N-(2-phenylpropan-2-yl)propanamide?
The canonical SMILES for 3-bromo-N-(2-phenylpropan-2-yl)propanamide is CC(C)(NC(=O)CCBr)c1ccccc1.
What is the InChIKey of 3-bromo-N-(2-phenylpropan-2-yl)propanamide?
The InChIKey is TZDDOWUNJQVBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2,14-11(15)8-9-13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 3-bromo-N-(2-phenylpropan-2-yl)propanamide?
3-bromo-N-(2-phenylpropan-2-yl)propanamide has a molecular weight of 270.17 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 13142348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).