2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide

C13H17Cl2NO3 — CID 84601595

IUPAC2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-2-18-7-3-6-16-13(17)9-19-12-8-10(14)4-5-11(12)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyCPWVRIORGJFEKH-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.91
Rot. Bonds8

About 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide

2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide (PubChem CID 84601595) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
PubChem CID84601595
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-2-18-7-3-6-16-13(17)9-19-12-8-10(14)4-5-11(12)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyCPWVRIORGJFEKH-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2,5-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43241696
2-(2,5-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504659
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
2-(2,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 19165328
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
2-(2,5-dichlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]acetamide
CID 55660167
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 18266874
2-(5-chloroquinolin-8-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 51172402
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide (CID 84601595) is 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide?
The InChIKey is CPWVRIORGJFEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-2-18-7-3-6-16-13(17)9-19-12-8-10(14)4-5-11(12)15/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide?
2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide has a molecular weight of 306.19 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 84601595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).