3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one

C15H12ClFN2O — CID 102536978

IUPAC3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
SMILESNC1C(=O)N(c2cccc(F)c2)C1c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O/c16-12-7-2-1-6-11(12)14-13(18)15(20)19(14)10-5-3-4-9(17)8-10/h1-8,13-14H,18H2
InChIKeyIUPWLSVKKDFIFC-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.89
Rot. Bonds2

About 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one

3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one (PubChem CID 102536978) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
PubChem CID102536978
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
SMILESNC1C(=O)N(c2cccc(F)c2)C1c1ccccc1Cl
InChIInChI=1S/C15H12ClFN2O/c16-12-7-2-1-6-11(12)14-13(18)15(20)19(14)10-5-3-4-9(17)8-10/h1-8,13-14H,18H2
InChIKeyIUPWLSVKKDFIFC-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one?
The IUPAC name of 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one (CID 102536978) is 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one?
The canonical SMILES for 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one is NC1C(=O)N(c2cccc(F)c2)C1c1ccccc1Cl.
What is the InChIKey of 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one?
The InChIKey is IUPWLSVKKDFIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-12-7-2-1-6-11(12)14-13(18)15(20)19(14)10-5-3-4-9(17)8-10/h1-8,13-14H,18H2.
What are the key properties of 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one?
3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one has a molecular weight of 290.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one is sourced from PubChem (CID 102536978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).