2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate

C20H21Cl2NO2 — CID 23303192

IUPAC2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCC(c1ccc(Cl)cc1Cl)N1CCC1C(=O)OCCc1ccccc1
InChIInChI=1S/C20H21Cl2NO2/c1-14(17-8-7-16(21)13-18(17)22)23-11-9-19(23)20(24)25-12-10-15-5-3-2-4-6-15/h2-8,13-14,19H,9-12H2,1H3
InChIKeyILZZBAPRQHTIRT-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.91
Rot. Bonds6

About 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate

2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate (PubChem CID 23303192) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate.

Molecular Properties

Compound Name2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate
PubChem CID23303192
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCC(c1ccc(Cl)cc1Cl)N1CCC1C(=O)OCCc1ccccc1
InChIInChI=1S/C20H21Cl2NO2/c1-14(17-8-7-16(21)13-18(17)22)23-11-9-19(23)20(24)25-12-10-15-5-3-2-4-6-15/h2-8,13-14,19H,9-12H2,1H3
InChIKeyILZZBAPRQHTIRT-UHFFFAOYSA-N
XLogP4.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Chlorobenzyl)-1-ethoxy-N,N-dimethyl-1-oxo-2-hexadecanaminium chloride
CID 51059969
2-(2,4-Dichlorophenyl)-2-(morpholin-4-yl)acetic acid hydrochloride
CID 54595831
Methyl 2-(4-chlorophenyl)-2-morpholin-4-ylacetate
CID 71475171
Ethyl 2-(4-chlorophenyl)-2-[[2-(2,6-dichlorophenyl)-3,3,3-trifluoropropanoyl]-methylamino]acetate
CID 139605173
(3R,5R)-4-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenylmorpholin-2-one
CID 135004990
Ethyl 2-(4-chlorophenyl)-2-[ethyl(propyl)amino]acetate
CID 155930732
methyl (2R)-2-(4-chlorophenyl)-2-morpholin-4-ylacetate
CID 162418094
Ethyl alpha-(4-chlorophenyl)-1-piperidineacetate
CID 24842506
2-(2,4-Dichlorophenyl)-2-morpholinoacetic acid
CID 43803363
(4-Chlorophenyl)methyl-(1-ethoxy-1-oxohexadecan-2-yl)-dimethylazanium
CID 51059970
Methyl 2-(2-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetate
CID 78845448
Ethyl 1-[(2,4-dichlorophenyl)methyl]piperidine-2-carboxylate
CID 2838467

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate?
The IUPAC name of 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate (CID 23303192) is 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate.
What is the SMILES notation for 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate?
The canonical SMILES for 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate is CC(c1ccc(Cl)cc1Cl)N1CCC1C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate?
The InChIKey is ILZZBAPRQHTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c1-14(17-8-7-16(21)13-18(17)22)23-11-9-19(23)20(24)25-12-10-15-5-3-2-4-6-15/h2-8,13-14,19H,9-12H2,1H3.
What are the key properties of 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate?
2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate has a molecular weight of 378.30 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 1-[1-(2,4-dichlorophenyl)ethyl]azetidine-2-carboxylate is sourced from PubChem (CID 23303192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).