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

C17H17Cl2NO3 — CID 55686865

IUPAC2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H17Cl2NO3/c1-12(23-15-9-5-8-14(18)16(15)19)17(21)20-10-11-22-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyYBZAKXPDICNCKO-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.96
Rot. Bonds7

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

2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide (PubChem CID 55686865) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
PubChem CID55686865
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)NCCOc1ccccc1
InChIInChI=1S/C17H17Cl2NO3/c1-12(23-15-9-5-8-14(18)16(15)19)17(21)20-10-11-22-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyYBZAKXPDICNCKO-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.96
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-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
(2S)-2-(2,3-dichlorophenoxy)-N-[(2R)-2-phenylpropyl]propanamide
CID 8604307
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
(2S)-N-[2-(2-methylphenoxy)ethyl]-2-phenoxypropanamide
CID 94633957
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165269

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide (CID 55686865) is 2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide is CC(Oc1cccc(Cl)c1Cl)C(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide?
The InChIKey is YBZAKXPDICNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-12(23-15-9-5-8-14(18)16(15)19)17(21)20-10-11-22-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide?
2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide has a molecular weight of 354.23 g/mol, XLogP of 3.96, 7 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-phenoxyethyl)propanamide is sourced from PubChem (CID 55686865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).