2-chloro-N-(4-chloro-3-nitrophenyl)acetamide

C8H6Cl2N2O3 — CID 2060603

IUPAC2-chloro-N-(4-chloro-3-nitrophenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6Cl2N2O3/c9-4-8(13)11-5-1-2-6(10)7(3-5)12(14)15/h1-3H,4H2,(H,11,13)
InChIKeyZIPYLYIONLWUPU-UHFFFAOYSA-N
MW249.05 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide

2-chloro-N-(4-chloro-3-nitrophenyl)acetamide (PubChem CID 2060603) has the molecular formula C8H6Cl2N2O3 and a molecular weight of 249.05 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-nitrophenyl)acetamide
PubChem CID2060603
Molecular FormulaC8H6Cl2N2O3
Molecular Weight249.05 g/mol
Exact Mass247.98
IUPAC Name2-chloro-N-(4-chloro-3-nitrophenyl)acetamide
SMILESO=C(CCl)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6Cl2N2O3/c9-4-8(13)11-5-1-2-6(10)7(3-5)12(14)15/h1-3H,4H2,(H,11,13)
InChIKeyZIPYLYIONLWUPU-UHFFFAOYSA-N
XLogP2.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide (CID 2060603) is 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide is O=C(CCl)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide?
The InChIKey is ZIPYLYIONLWUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O3/c9-4-8(13)11-5-1-2-6(10)7(3-5)12(14)15/h1-3H,4H2,(H,11,13).
What are the key properties of 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide?
2-chloro-N-(4-chloro-3-nitrophenyl)acetamide has a molecular weight of 249.05 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-nitrophenyl)acetamide is sourced from PubChem (CID 2060603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).