(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide

C11H13Cl2NO3 — CID 30690113

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
SMILESCCONC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO3/c1-3-16-14-11(15)7(2)17-10-5-4-8(12)6-9(10)13/h4-7H,3H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyXHEPUOHJCCYZBY-SSDOTTSWSA-N
MW278.14 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide

(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide (PubChem CID 30690113) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.14 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
PubChem CID30690113
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
SMILESCCONC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2NO3/c1-3-16-14-11(15)7(2)17-10-5-4-8(12)6-9(10)13/h4-7H,3H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyXHEPUOHJCCYZBY-SSDOTTSWSA-N
XLogP2.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82724609
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837826
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978186
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
CID 3347713
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate
CID 3329057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide (CID 30690113) is (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide is CCONC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide?
The InChIKey is XHEPUOHJCCYZBY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-3-16-14-11(15)7(2)17-10-5-4-8(12)6-9(10)13/h4-7H,3H2,1-2H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide has a molecular weight of 278.14 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide is sourced from PubChem (CID 30690113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).