2-bromo-2-(2-methylphenyl)acetamide

C9H10BrNO — CID 19981756

IUPAC2-bromo-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(Br)C(N)=O
InChIInChI=1S/C9H10BrNO/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyLVQRRZYXNQZVBD-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.92
Rot. Bonds2

About 2-bromo-2-(2-methylphenyl)acetamide

2-bromo-2-(2-methylphenyl)acetamide (PubChem CID 19981756) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-bromo-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-2-(2-methylphenyl)acetamide
PubChem CID19981756
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-bromo-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(Br)C(N)=O
InChIInChI=1S/C9H10BrNO/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyLVQRRZYXNQZVBD-UHFFFAOYSA-N
XLogP1.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.92
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-bromo-2-(2-methylphenyl)acetyl chloride
CID 130740286
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
propyl (2S)-2-bromo-2-(2-methylphenyl)acetate
CID 101158902
benzyl (2S)-2-bromo-2-(2-methylphenyl)acetate
CID 101158906
benzyl 2-bromo-2-(2-methylphenyl)acetate
CID 23250619
(2R)-2-(2-methylphenyl)pent-4-enamide
CID 101197364
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
4-hydroxy-2-methyl-4-(2-methylphenyl)butanamide
CID 174318100
dimethyl 2-(2-methylphenyl)propanedioate
CID 11276084
3-cyclopropyl-3-(2-methylphenyl)propanamide
CID 82076759
3-methyl-4-(2-methylphenyl)pentanamide
CID 175805571

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2-methylphenyl)acetamide?
The IUPAC name of 2-bromo-2-(2-methylphenyl)acetamide (CID 19981756) is 2-bromo-2-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-bromo-2-(2-methylphenyl)acetamide?
The canonical SMILES for 2-bromo-2-(2-methylphenyl)acetamide is Cc1ccccc1C(Br)C(N)=O.
What is the InChIKey of 2-bromo-2-(2-methylphenyl)acetamide?
The InChIKey is LVQRRZYXNQZVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3,(H2,11,12).
What are the key properties of 2-bromo-2-(2-methylphenyl)acetamide?
2-bromo-2-(2-methylphenyl)acetamide has a molecular weight of 228.09 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 19981756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).