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

C20H22ClNO2 — CID 23303174

IUPAC2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCC(c1ccc(Cl)cc1)N1CCC1C(=O)OCCc1ccccc1
InChIInChI=1S/C20H22ClNO2/c1-15(17-7-9-18(21)10-8-17)22-13-11-19(22)20(23)24-14-12-16-5-3-2-4-6-16/h2-10,15,19H,11-14H2,1H3
InChIKeyFXXHCFHDGXFHKZ-UHFFFAOYSA-N
MW343.85 g/mol
LogP4.26
Rot. Bonds6

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

2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate (PubChem CID 23303174) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate.

Molecular Properties

Compound Name2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
PubChem CID23303174
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate
SMILESCC(c1ccc(Cl)cc1)N1CCC1C(=O)OCCc1ccccc1
InChIInChI=1S/C20H22ClNO2/c1-15(17-7-9-18(21)10-8-17)22-13-11-19(22)20(23)24-14-12-16-5-3-2-4-6-16/h2-10,15,19H,11-14H2,1H3
InChIKeyFXXHCFHDGXFHKZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The IUPAC name of 2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate (CID 23303174) is 2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate.
What is the SMILES notation for 2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The canonical SMILES for 2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate is CC(c1ccc(Cl)cc1)N1CCC1C(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
The InChIKey is FXXHCFHDGXFHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-15(17-7-9-18(21)10-8-17)22-13-11-19(22)20(23)24-14-12-16-5-3-2-4-6-16/h2-10,15,19H,11-14H2,1H3.
What are the key properties of 2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate?
2-phenylethyl 1-[1-(4-chlorophenyl)ethyl]azetidine-2-carboxylate has a molecular weight of 343.85 g/mol, XLogP of 4.26, 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-(4-chlorophenyl)ethyl]azetidine-2-carboxylate is sourced from PubChem (CID 23303174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).