3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one

C20H23ClN2O2 — CID 12005174

IUPAC3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one
SMILESCCCNCC1C(Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C
InChIInChI=1S/C20H23ClN2O2/c1-3-12-22-13-18-19(25-16-10-8-15(21)9-11-16)20(24)23(18)17-7-5-4-6-14(17)2/h4-11,18-19,22H,3,12-13H2,1-2H3
InChIKeyABNYDHIRIZXQEN-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.81
Rot. Bonds7

About 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one

3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one (PubChem CID 12005174) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one
PubChem CID12005174
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one
SMILESCCCNCC1C(Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C
InChIInChI=1S/C20H23ClN2O2/c1-3-12-22-13-18-19(25-16-10-8-15(21)9-11-16)20(24)23(18)17-7-5-4-6-14(17)2/h4-11,18-19,22H,3,12-13H2,1-2H3
InChIKeyABNYDHIRIZXQEN-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one?
The IUPAC name of 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one (CID 12005174) is 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one?
The canonical SMILES for 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one is CCCNCC1C(Oc2ccc(Cl)cc2)C(=O)N1c1ccccc1C.
What is the InChIKey of 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one?
The InChIKey is ABNYDHIRIZXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-12-22-13-18-19(25-16-10-8-15(21)9-11-16)20(24)23(18)17-7-5-4-6-14(17)2/h4-11,18-19,22H,3,12-13H2,1-2H3.
What are the key properties of 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one?
3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one has a molecular weight of 358.87 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-(propylaminomethyl)azetidin-2-one is sourced from PubChem (CID 12005174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).