3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide

C12H16BrNO2 — CID 105057894

IUPAC3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
SMILESCC(CO)(NC(=O)CCBr)c1ccccc1
InChIInChI=1S/C12H16BrNO2/c1-12(9-15,14-11(16)7-8-13)10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3,(H,14,16)
InChIKeyKAXCICQEXUATIO-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.80
Rot. Bonds5

About 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide

3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide (PubChem CID 105057894) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
PubChem CID105057894
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
SMILESCC(CO)(NC(=O)CCBr)c1ccccc1
InChIInChI=1S/C12H16BrNO2/c1-12(9-15,14-11(16)7-8-13)10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3,(H,14,16)
InChIKeyKAXCICQEXUATIO-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058260
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
3-bromo-N-(2-phenylpropan-2-yl)propanamide
CID 13142348
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
3-(furan-2-yl)-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058834
phenyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059186
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide
CID 105058924
N-(1-hydroxy-2-phenylpropan-2-yl)-2-pyridin-4-ylacetamide
CID 105059171
N-(1-bromo-2-phenylpropan-2-yl)octanamide
CID 105059946
(E)-N-(1-hydroxy-2-phenylpropan-2-yl)but-2-enamide
CID 105057886
1-(1-hydroxy-2-phenylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115619743
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide?
The IUPAC name of 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide (CID 105057894) is 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide?
The canonical SMILES for 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide is CC(CO)(NC(=O)CCBr)c1ccccc1.
What is the InChIKey of 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide?
The InChIKey is KAXCICQEXUATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-12(9-15,14-11(16)7-8-13)10-5-3-2-4-6-10/h2-6,15H,7-9H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide?
3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide has a molecular weight of 286.17 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 105057894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).