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

C12H15Cl2NO3 — CID 4995082

IUPAC2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-8(12(16)15-5-6-17-2)18-11-4-3-9(13)7-10(11)14/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeySZBOFGHOFKVITR-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.52
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 4995082) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID4995082
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-8(12(16)15-5-6-17-2)18-11-4-3-9(13)7-10(11)14/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeySZBOFGHOFKVITR-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.52
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-methoxyethyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide (CID 4995082) is 2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is SZBOFGHOFKVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-8(12(16)15-5-6-17-2)18-11-4-3-9(13)7-10(11)14/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(2-methoxyethyl)propanamide has a molecular weight of 292.16 g/mol, XLogP of 2.52, 6 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-methoxyethyl)propanamide is sourced from PubChem (CID 4995082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).