[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride

C18H21Cl2NO3 — CID 23004

IUPAC[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride
SMILESO=C(c1ccc(Cl)cc1)C(c1ccccc1)[NH+](CCO)CCO.[Cl-]
InChIInChI=1S/C18H20ClNO3.ClH/c19-16-8-6-15(7-9-16)18(23)17(14-4-2-1-3-5-14)20(10-12-21)11-13-22;/h1-9,17,21-22H,10-13H2;1H
InChIKeyMZAJCBHZONRNMG-UHFFFAOYSA-N
MW370.28 g/mol
LogP-1.86
Rot. Bonds8

About [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride

[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride (PubChem CID 23004) has the molecular formula C18H21Cl2NO3 and a molecular weight of 370.28 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride
PubChem CID23004
Molecular FormulaC18H21Cl2NO3
Molecular Weight370.28 g/mol
Exact Mass369.09
IUPAC Name[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride
SMILESO=C(c1ccc(Cl)cc1)C(c1ccccc1)[NH+](CCO)CCO.[Cl-]
InChIInChI=1S/C18H20ClNO3.ClH/c19-16-8-6-15(7-9-16)18(23)17(14-4-2-1-3-5-14)20(10-12-21)11-13-22;/h1-9,17,21-22H,10-13H2;1H
InChIKeyMZAJCBHZONRNMG-UHFFFAOYSA-N
XLogP-1.86
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride?
The IUPAC name of [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride (CID 23004) is [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride is O=C(c1ccc(Cl)cc1)C(c1ccccc1)[NH+](CCO)CCO.[Cl-].
What is the InChIKey of [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride?
The InChIKey is MZAJCBHZONRNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3.ClH/c19-16-8-6-15(7-9-16)18(23)17(14-4-2-1-3-5-14)20(10-12-21)11-13-22;/h1-9,17,21-22H,10-13H2;1H.
What are the key properties of [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride?
[2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride has a molecular weight of 370.28 g/mol, XLogP of -1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride is sourced from PubChem (CID 23004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).