2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide

C17H17Cl2NO3 — CID 2973159

IUPAC2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H17Cl2NO3/c1-12(23-16-8-7-13(18)11-15(16)19)17(21)20-9-10-22-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyNUINCYLSBZDVAK-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.96
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide

2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide (PubChem CID 2973159) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
PubChem CID2973159
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H17Cl2NO3/c1-12(23-16-8-7-13(18)11-15(16)19)17(21)20-9-10-22-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyNUINCYLSBZDVAK-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide (CID 2973159) is 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide?
The InChIKey is NUINCYLSBZDVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-12(23-16-8-7-13(18)11-15(16)19)17(21)20-9-10-22-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide has a molecular weight of 354.23 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 2973159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).