3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one

C9H8ClFN2O — CID 107371241

IUPAC3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
SMILESNC1CN(c2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C9H8ClFN2O/c10-5-1-6(11)3-7(2-5)13-4-8(12)9(13)14/h1-3,8H,4,12H2
InChIKeyAIGLQBSFBOSCJD-UHFFFAOYSA-N
MW214.63 g/mol
LogP1.15
Rot. Bonds1

About 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one

3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one (PubChem CID 107371241) has the molecular formula C9H8ClFN2O and a molecular weight of 214.63 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
PubChem CID107371241
Molecular FormulaC9H8ClFN2O
Molecular Weight214.63 g/mol
Exact Mass214.03
IUPAC Name3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one
SMILESNC1CN(c2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C9H8ClFN2O/c10-5-1-6(11)3-7(2-5)13-4-8(12)9(13)14/h1-3,8H,4,12H2
InChIKeyAIGLQBSFBOSCJD-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one (CID 107371241) is 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one is NC1CN(c2cc(F)cc(Cl)c2)C1=O.
What is the InChIKey of 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one?
The InChIKey is AIGLQBSFBOSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O/c10-5-1-6(11)3-7(2-5)13-4-8(12)9(13)14/h1-3,8H,4,12H2.
What are the key properties of 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one?
3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one has a molecular weight of 214.63 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-5-fluorophenyl)azetidin-2-one is sourced from PubChem (CID 107371241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).