2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide

C11H12BrNO — CID 142055237

IUPAC2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide
SMILESC=Cc1cc(C)ccc1NC(=O)CBr
InChIInChI=1S/C11H12BrNO/c1-3-9-6-8(2)4-5-10(9)13-11(14)7-12/h3-6H,1,7H2,2H3,(H,13,14)
InChIKeyOXFPTYNAIGOQIN-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.97
Rot. Bonds3

About 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide

2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide (PubChem CID 142055237) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide
PubChem CID142055237
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide
SMILESC=Cc1cc(C)ccc1NC(=O)CBr
InChIInChI=1S/C11H12BrNO/c1-3-9-6-8(2)4-5-10(9)13-11(14)7-12/h3-6H,1,7H2,2H3,(H,13,14)
InChIKeyOXFPTYNAIGOQIN-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.97
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-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N-[2-(benzenecarbonothioyl)-4-methylphenyl]-2-bromoacetamide
CID 154369809
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
N-[4-methyl-2-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
CID 141023535
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide
CID 46779177
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide (CID 142055237) is 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide is C=Cc1cc(C)ccc1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide?
The InChIKey is OXFPTYNAIGOQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-3-9-6-8(2)4-5-10(9)13-11(14)7-12/h3-6H,1,7H2,2H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide?
2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide has a molecular weight of 254.13 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide is sourced from PubChem (CID 142055237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).