2-bromo-2-methyl-N-(1-phenylethyl)propanamide

C12H16BrNO — CID 82109308

IUPAC2-bromo-2-methyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)Br)c1ccccc1
InChIInChI=1S/C12H16BrNO/c1-9(10-7-5-4-6-8-10)14-11(15)12(2,3)13/h4-9H,1-3H3,(H,14,15)
InChIKeySSURXEKOVPPLKO-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.04
Rot. Bonds3

About 2-bromo-2-methyl-N-(1-phenylethyl)propanamide

2-bromo-2-methyl-N-(1-phenylethyl)propanamide (PubChem CID 82109308) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(1-phenylethyl)propanamide
PubChem CID82109308
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-2-methyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)Br)c1ccccc1
InChIInChI=1S/C12H16BrNO/c1-9(10-7-5-4-6-8-10)14-11(15)12(2,3)13/h4-9H,1-3H3,(H,14,15)
InChIKeySSURXEKOVPPLKO-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.04
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

2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2-bromo-2-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 82110375
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methylpropanamide
CID 114327349
2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
CID 71378994
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(1-phenylethyl)propanamide (CID 82109308) is 2-bromo-2-methyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)(C)Br)c1ccccc1.
What is the InChIKey of 2-bromo-2-methyl-N-(1-phenylethyl)propanamide?
The InChIKey is SSURXEKOVPPLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9(10-7-5-4-6-8-10)14-11(15)12(2,3)13/h4-9H,1-3H3,(H,14,15).
What are the key properties of 2-bromo-2-methyl-N-(1-phenylethyl)propanamide?
2-bromo-2-methyl-N-(1-phenylethyl)propanamide has a molecular weight of 270.17 g/mol, XLogP of 3.04, 3 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-phenylethyl)propanamide is sourced from PubChem (CID 82109308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).