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

C9H9BrClNO — CID 63678891

IUPAC2-bromo-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CBr)c(Cl)c1
InChIInChI=1S/C9H9BrClNO/c1-6-2-3-8(7(11)4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyBDQFCSJDMJRONG-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.98
Rot. Bonds2

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

2-bromo-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 63678891) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID63678891
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-bromo-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CBr)c(Cl)c1
InChIInChI=1S/C9H9BrClNO/c1-6-2-3-8(7(11)4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyBDQFCSJDMJRONG-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.98
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-5-methylphenyl)acetamide
CID 82111012
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
[2-(2-chloro-4-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060956
2-bromo-N-(2-ethenyl-4-methylphenyl)acetamide
CID 142055237
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263865
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
1-(2-chloro-4-methylphenyl)-3-ethylurea
CID 21161481
3-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-(2-chloro-4-methylphenyl)propanamide;hydroiodide
CID 111099673
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-chloro-4-methylphenyl)acetamide (CID 63678891) is 2-bromo-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CBr)c(Cl)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is BDQFCSJDMJRONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-6-2-3-8(7(11)4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-(2-chloro-4-methylphenyl)acetamide?
2-bromo-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 262.53 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 63678891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).