2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide

C9H9Cl2NO2 — CID 776663

IUPAC2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCl
InChIInChI=1S/C9H9Cl2NO2/c1-14-8-3-2-6(11)4-7(8)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeySPULYDBQXNEJJC-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.53
Rot. Bonds3

About 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide

2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 776663) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID776663
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCl
InChIInChI=1S/C9H9Cl2NO2/c1-14-8-3-2-6(11)4-7(8)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeySPULYDBQXNEJJC-UHFFFAOYSA-N
XLogP2.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.53
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

N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
N-(5-chloro-2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 17462179

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide (CID 776663) is 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is SPULYDBQXNEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-8-3-2-6(11)4-7(8)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide?
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 234.08 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 776663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).