N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide

C11H12BrNO3 — CID 82489606

IUPACN-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)CBr
InChIInChI=1S/C11H12BrNO3/c1-7(14)13-8-3-4-11(16-2)9(5-8)10(15)6-12/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyRKKXXUOJQZGANK-UHFFFAOYSA-N
MW286.13 g/mol
LogP2.23
Rot. Bonds4

About N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide

N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide (PubChem CID 82489606) has the molecular formula C11H12BrNO3 and a molecular weight of 286.13 g/mol. Its IUPAC name is N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide
PubChem CID82489606
Molecular FormulaC11H12BrNO3
Molecular Weight286.13 g/mol
Exact Mass285.00
IUPAC NameN-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)CBr
InChIInChI=1S/C11H12BrNO3/c1-7(14)13-8-3-4-11(16-2)9(5-8)10(15)6-12/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyRKKXXUOJQZGANK-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-acetamido-N-(cyanomethyl)-2-methoxybenzamide
CID 82479761
N-[3-(2-bromohexanoyl)-4-methoxyphenyl]acetamide
CID 88915095
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
2-bromo-1-[2-methoxy-5-(4-methoxyphenyl)phenyl]ethanone
CID 59113906
N-[3-(1-bromopropoxy)-4-methoxyphenyl]acetamide
CID 22457109
N-[4-(2-methoxyethoxy)-3-propanoylphenyl]acetamide
CID 165355459
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
2-bromo-1-(2-methoxy-5-methylphenyl)ethanone;methanamine;methane;methanedithione
CID 160540811
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
5-acetamido-N-[2-[3-[[2-[3-[[2-(3-carbamoyl-4-methoxyanilino)-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]carbamoyl]-4-methoxyanilino]-2-oxoethyl]-2-methoxybenzamide
CID 131994831

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide (CID 82489606) is N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1C(=O)CBr.
What is the InChIKey of N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide?
The InChIKey is RKKXXUOJQZGANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-7(14)13-8-3-4-11(16-2)9(5-8)10(15)6-12/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide?
N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide has a molecular weight of 286.13 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 82489606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).