N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide

C12H16BrNO — CID 114307896

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
SMILESCC(C)(CBr)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H16BrNO/c1-12(2,9-13)14-11(15)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyVHTPQJKXUXICQW-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.52
Rot. Bonds4

About N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide

N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide (PubChem CID 114307896) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
PubChem CID114307896
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
SMILESCC(C)(CBr)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H16BrNO/c1-12(2,9-13)14-11(15)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyVHTPQJKXUXICQW-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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

N-(1-bromo-2-methylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114307937
N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide
CID 114307883
N-(1-bromo-2-methylpropan-2-yl)-2-phenylsulfanylacetamide
CID 114308012
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 113354468
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
3-[[2-(4-bromophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670695
N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114308202
N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 114308151
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
CID 119051213
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide (CID 114307896) is N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide is CC(C)(CBr)NC(=O)Cc1ccccc1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide?
The InChIKey is VHTPQJKXUXICQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2,9-13)14-11(15)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide?
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide has a molecular weight of 270.17 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 114307896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).