2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide

C12H15Cl2NO3 — CID 46452752

IUPAC2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-8(12(16)15-6-7-17-2)18-10-5-3-4-9(13)11(10)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyKHIPGPXQEDCKSH-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.52
Rot. Bonds6

About 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide

2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide (PubChem CID 46452752) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
PubChem CID46452752
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-8(12(16)15-6-7-17-2)18-10-5-3-4-9(13)11(10)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyKHIPGPXQEDCKSH-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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Related Compounds

2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
(2R)-2-(2,3-dichlorophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 39882116
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
2-(2-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 79676776

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide (CID 46452752) is 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide?
The InChIKey is KHIPGPXQEDCKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-8(12(16)15-6-7-17-2)18-10-5-3-4-9(13)11(10)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide?
2-(2,3-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-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 46452752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).