2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium

C20H25ClNO2+ — CID 86308486

IUPAC2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium
SMILESCC[NH+](CC)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-3-22(4-2)15-16-24-19(23)20(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3/p+1
InChIKeyZASSLOPXOOJHFR-UHFFFAOYSA-O
MW346.88 g/mol
LogP2.64
Rot. Bonds8

About 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium

2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium (PubChem CID 86308486) has the molecular formula C20H25ClNO2+ and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium.

Molecular Properties

Compound Name2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium
PubChem CID86308486
Molecular FormulaC20H25ClNO2+
Molecular Weight346.88 g/mol
Exact Mass346.16
IUPAC Name2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium
SMILESCC[NH+](CC)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-3-22(4-2)15-16-24-19(23)20(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3/p+1
InChIKeyZASSLOPXOOJHFR-UHFFFAOYSA-O
XLogP2.64
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl 2-chloro-2,2-diphenylacetate;hydrochloride
CID 6451501
diethyl-[3-(2-hydroxy-3-methyl-2-phenylbutanoyl)oxypropyl]azanium chloride
CID 27276
dibutyl 2-chloro-2-phenylpropanedioate
CID 19073801
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride
CID 44658693
diethyl-(4-hydroxy-3-oxo-4,4-diphenylbutyl)azanium
CID 2295241
2-(2-benzoylbenzoyl)oxyethyl-diethylazanium chloride
CID 110173843
butan-2-yl-[2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl]-ethylazanium chloride
CID 18002
1-chloro-1,1,3,3-tetraphenylpentan-2-one
CID 172999770
hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium
CID 70150123
butyl 2,2-dibromo-2-phenylacetate
CID 67401521
diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 159230948

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium?
The IUPAC name of 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium (CID 86308486) is 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium.
What is the SMILES notation for 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium?
The canonical SMILES for 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium is CC[NH+](CC)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium?
The InChIKey is ZASSLOPXOOJHFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClNO2/c1-3-22(4-2)15-16-24-19(23)20(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3/p+1.
What are the key properties of 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium?
2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium has a molecular weight of 346.88 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2,2-diphenylacetyl)oxyethyl-diethylazanium is sourced from PubChem (CID 86308486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).