N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide

C10H9Br2NO2 — CID 14617327

IUPACN-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CBr)cc1Br
InChIInChI=1S/C10H9Br2NO2/c1-6(14)13-9-3-2-7(4-8(9)12)10(15)5-11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyAWGLPALGJSWCAC-UHFFFAOYSA-N
MW335.00 g/mol
LogP2.99
Rot. Bonds3

About N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide

N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide (PubChem CID 14617327) has the molecular formula C10H9Br2NO2 and a molecular weight of 335.00 g/mol. Its IUPAC name is N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide
PubChem CID14617327
Molecular FormulaC10H9Br2NO2
Molecular Weight335.00 g/mol
Exact Mass332.90
IUPAC NameN-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CBr)cc1Br
InChIInChI=1S/C10H9Br2NO2/c1-6(14)13-9-3-2-7(4-8(9)12)10(15)5-11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyAWGLPALGJSWCAC-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.00
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(3-bromo-4-ethylphenyl)ethanone
CID 82124816
2-bromo-1-(3-bromo-4-methylphenyl)ethanone;1-(3-bromo-4-methylphenyl)ethanone
CID 159915829
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
N-[4-(2-bromoacetyl)-2-methylphenyl]propanamide
CID 123771315
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
3,4-diacetamidobenzoic acid
CID 2735923
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
N-(2-bromo-4-carbamothioylphenyl)propanamide
CID 107789663
3,4-diacetamidobenzoate
CID 6922666
2-bromo-1-(4-hydroxy-3-methylphenyl)ethanone
CID 11218449
1-(4-acetyl-3-fluorophenyl)-2-bromoethanone
CID 19853167
N-[2-bromo-4-(bromomethyl)-5-methylphenyl]acetamide
CID 58695056

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide (CID 14617327) is N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CBr)cc1Br.
What is the InChIKey of N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide?
The InChIKey is AWGLPALGJSWCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2/c1-6(14)13-9-3-2-7(4-8(9)12)10(15)5-11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide?
N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide has a molecular weight of 335.00 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(2-bromoacetyl)phenyl]acetamide is sourced from PubChem (CID 14617327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).