2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide

C17H17Cl2NO3 — CID 27853041

IUPAC2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
SMILESCCOc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3/c1-2-22-13-4-6-14(7-5-13)23-10-9-20-17(21)15-8-3-12(18)11-16(15)19/h3-8,11H,2,9-10H2,1H3,(H,20,21)
InChIKeyNDTKPKHPXKSDBF-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.20
Rot. Bonds7

About 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide

2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide (PubChem CID 27853041) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
PubChem CID27853041
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
SMILESCCOc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3/c1-2-22-13-4-6-14(7-5-13)23-10-9-20-17(21)15-8-3-12(18)11-16(15)19/h3-8,11H,2,9-10H2,1H3,(H,20,21)
InChIKeyNDTKPKHPXKSDBF-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide (CID 27853041) is 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide is CCOc1ccc(OCCNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide?
The InChIKey is NDTKPKHPXKSDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-2-22-13-4-6-14(7-5-13)23-10-9-20-17(21)15-8-3-12(18)11-16(15)19/h3-8,11H,2,9-10H2,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide?
2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide has a molecular weight of 354.23 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(4-ethoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 27853041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).