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

C16H15Cl2NO3 — CID 4822254

IUPAC2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCOc1ccccc1
InChIInChI=1S/C16H15Cl2NO3/c17-12-6-7-15(14(18)10-12)22-11-16(20)19-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeySYRZVDUVXVWFSC-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.57
Rot. Bonds7

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

2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide (PubChem CID 4822254) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide
PubChem CID4822254
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCOc1ccccc1
InChIInChI=1S/C16H15Cl2NO3/c17-12-6-7-15(14(18)10-12)22-11-16(20)19-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeySYRZVDUVXVWFSC-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.57
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)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide (CID 4822254) is 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCOc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide?
The InChIKey is SYRZVDUVXVWFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c17-12-6-7-15(14(18)10-12)22-11-16(20)19-8-9-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2-phenoxyethyl)acetamide has a molecular weight of 340.21 g/mol, XLogP of 3.57, 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)acetamide is sourced from PubChem (CID 4822254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).