3-bromo-N,2-dimethyl-2-phenylpropanamide

C11H14BrNO — CID 154114907

IUPAC3-bromo-N,2-dimethyl-2-phenylpropanamide
SMILESCNC(=O)C(C)(CBr)c1ccccc1
InChIInChI=1S/C11H14BrNO/c1-11(8-12,10(14)13-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyLUKJIIVTZCZVQD-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.09
Rot. Bonds3

About 3-bromo-N,2-dimethyl-2-phenylpropanamide

3-bromo-N,2-dimethyl-2-phenylpropanamide (PubChem CID 154114907) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-bromo-N,2-dimethyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-bromo-N,2-dimethyl-2-phenylpropanamide
PubChem CID154114907
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-bromo-N,2-dimethyl-2-phenylpropanamide
SMILESCNC(=O)C(C)(CBr)c1ccccc1
InChIInChI=1S/C11H14BrNO/c1-11(8-12,10(14)13-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyLUKJIIVTZCZVQD-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.09
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-2-methyl-2-phenylpropanoic acid
CID 131843257
(2S)-3-bromo-2-methyl-1,2-diphenylpropan-1-one
CID 139043134
2-methyl-2,3-diphenyl-N-propan-2-ylpropanamide
CID 110299373
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
2-chloro-2-fluoro-N-methyl-2-phenylacetamide
CID 131086216
3-chloro-5-hydroxy-N-methyl-2,2-diphenylpentanamide
CID 174381619
N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 113485062
methyl (2S)-3-bromo-2-hydroxy-2-phenylpropanoate
CID 99866628
methyl 2-methyl-2-phenylbutanoate
CID 562613
N-methyl-2,2-diphenyl-2-[(2-phenylacetyl)amino]acetamide
CID 10338453
4-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
CID 14230778
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,2-dimethyl-2-phenylpropanamide?
The IUPAC name of 3-bromo-N,2-dimethyl-2-phenylpropanamide (CID 154114907) is 3-bromo-N,2-dimethyl-2-phenylpropanamide.
What is the SMILES notation for 3-bromo-N,2-dimethyl-2-phenylpropanamide?
The canonical SMILES for 3-bromo-N,2-dimethyl-2-phenylpropanamide is CNC(=O)C(C)(CBr)c1ccccc1.
What is the InChIKey of 3-bromo-N,2-dimethyl-2-phenylpropanamide?
The InChIKey is LUKJIIVTZCZVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(8-12,10(14)13-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-N,2-dimethyl-2-phenylpropanamide?
3-bromo-N,2-dimethyl-2-phenylpropanamide has a molecular weight of 256.14 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,2-dimethyl-2-phenylpropanamide is sourced from PubChem (CID 154114907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).