N-(3,5-dichlorophenyl)-2-methoxyacetamide

C9H9Cl2NO2 — CID 885940

IUPACN-(3,5-dichlorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-14-5-9(13)12-8-3-6(10)2-7(11)4-8/h2-4H,5H2,1H3,(H,12,13)
InChIKeyGNIKEYUFTBGHCC-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.58
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-methoxyacetamide

N-(3,5-dichlorophenyl)-2-methoxyacetamide (PubChem CID 885940) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-methoxyacetamide
PubChem CID885940
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC NameN-(3,5-dichlorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-14-5-9(13)12-8-3-6(10)2-7(11)4-8/h2-4H,5H2,1H3,(H,12,13)
InChIKeyGNIKEYUFTBGHCC-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-methoxyacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-methoxyacetamide (CID 885940) is N-(3,5-dichlorophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-methoxyacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-methoxyacetamide is COCC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-methoxyacetamide?
The InChIKey is GNIKEYUFTBGHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-5-9(13)12-8-3-6(10)2-7(11)4-8/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-(3,5-dichlorophenyl)-2-methoxyacetamide?
N-(3,5-dichlorophenyl)-2-methoxyacetamide has a molecular weight of 234.08 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-methoxyacetamide is sourced from PubChem (CID 885940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).