2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide

C17H17Cl2NO2 — CID 2171881

IUPAC2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCCc1ccccc1
InChIInChI=1S/C17H17Cl2NO2/c18-14-8-9-16(15(19)11-14)22-12-17(21)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,21)
InChIKeyWAUPNGQNNOZQOB-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.12
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide

2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide (PubChem CID 2171881) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
PubChem CID2171881
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCCc1ccccc1
InChIInChI=1S/C17H17Cl2NO2/c18-14-8-9-16(15(19)11-14)22-12-17(21)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,21)
InChIKeyWAUPNGQNNOZQOB-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide (CID 2171881) is 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCCc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide?
The InChIKey is WAUPNGQNNOZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c18-14-8-9-16(15(19)11-14)22-12-17(21)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide has a molecular weight of 338.23 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 2171881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).