2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride

C24H26ClNO2 — CID 25271

IUPAC2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride
SMILESCC(Cc1ccccc1)[NH2+]CCOc1ccccc1C(=O)c1ccccc1.[Cl-]
InChIInChI=1S/C24H25NO2.ClH/c1-19(18-20-10-4-2-5-11-20)25-16-17-27-23-15-9-8-14-22(23)24(26)21-12-6-3-7-13-21;/h2-15,19,25H,16-18H2,1H3;1H
InChIKeyZDAUDUTVWVDLAF-UHFFFAOYSA-N
MW395.93 g/mol
LogP0.50
Rot. Bonds9

About 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride

2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride (PubChem CID 25271) has the molecular formula C24H26ClNO2 and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride.

Molecular Properties

Compound Name2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride
PubChem CID25271
Molecular FormulaC24H26ClNO2
Molecular Weight395.93 g/mol
Exact Mass395.17
IUPAC Name2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride
SMILESCC(Cc1ccccc1)[NH2+]CCOc1ccccc1C(=O)c1ccccc1.[Cl-]
InChIInChI=1S/C24H25NO2.ClH/c1-19(18-20-10-4-2-5-11-20)25-16-17-27-23-15-9-8-14-22(23)24(26)21-12-6-3-7-13-21;/h2-15,19,25H,16-18H2,1H3;1H
InChIKeyZDAUDUTVWVDLAF-UHFFFAOYSA-N
XLogP0.50
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride?
The IUPAC name of 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride (CID 25271) is 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride.
What is the SMILES notation for 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride?
The canonical SMILES for 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride is CC(Cc1ccccc1)[NH2+]CCOc1ccccc1C(=O)c1ccccc1.[Cl-].
What is the InChIKey of 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride?
The InChIKey is ZDAUDUTVWVDLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2.ClH/c1-19(18-20-10-4-2-5-11-20)25-16-17-27-23-15-9-8-14-22(23)24(26)21-12-6-3-7-13-21;/h2-15,19,25H,16-18H2,1H3;1H.
What are the key properties of 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride?
2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride has a molecular weight of 395.93 g/mol, XLogP of 0.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylphenoxy)ethyl-(1-phenylpropan-2-yl)azanium chloride is sourced from PubChem (CID 25271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).