2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium

C18H21Cl2N2O3+ — CID 59352016

IUPAC2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
SMILES[NH3+]CCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21/h1-7,22H,8-12,21H2/p+1
InChIKeyGHLOWSCCYURFCU-UHFFFAOYSA-O
MW384.28 g/mol
LogP3.08
Rot. Bonds9

About 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium

2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium (PubChem CID 59352016) has the molecular formula C18H21Cl2N2O3+ and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium.

Molecular Properties

Compound Name2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
PubChem CID59352016
Molecular FormulaC18H21Cl2N2O3+
Molecular Weight384.28 g/mol
Exact Mass383.09
IUPAC Name2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
SMILES[NH3+]CCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21/h1-7,22H,8-12,21H2/p+1
InChIKeyGHLOWSCCYURFCU-UHFFFAOYSA-O
XLogP3.08
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium?
The IUPAC name of 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium (CID 59352016) is 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium.
What is the SMILES notation for 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium?
The canonical SMILES for 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium is [NH3+]CCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium?
The InChIKey is GHLOWSCCYURFCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20Cl2N2O3/c19-14-5-3-6-15(20)18(14)22-16-7-2-1-4-13(16)12-17(23)25-11-10-24-9-8-21/h1-7,22H,8-12,21H2/p+1.
What are the key properties of 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium?
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium has a molecular weight of 384.28 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium is sourced from PubChem (CID 59352016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).