2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide

C11H13Cl2NO2 — CID 684074

IUPAC2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(2)14-11(15)6-16-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyWJZNKICGQZGRPQ-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.90
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide

2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide (PubChem CID 684074) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
PubChem CID684074
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO2/c1-7(2)14-11(15)6-16-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyWJZNKICGQZGRPQ-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide (CID 684074) is 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide?
The InChIKey is WJZNKICGQZGRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-7(2)14-11(15)6-16-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide?
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide has a molecular weight of 262.14 g/mol, XLogP of 2.90, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 684074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).