(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one

C17H15FN2O — CID 102450032

IUPAC(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C17H15FN2O/c18-13-7-9-14(10-8-13)20-15(16(19)17(20)21)11-6-12-4-2-1-3-5-12/h1-11,15-16H,19H2/b11-6+/t15-,16+/m1/s1
InChIKeyXMIFAAHFVMUGPG-SNOKEQIZSA-N
MW282.32 g/mol
LogP2.58
Rot. Bonds3

About (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one

(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one (PubChem CID 102450032) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
PubChem CID102450032
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C17H15FN2O/c18-13-7-9-14(10-8-13)20-15(16(19)17(20)21)11-6-12-4-2-1-3-5-12/h1-11,15-16H,19H2/b11-6+/t15-,16+/m1/s1
InChIKeyXMIFAAHFVMUGPG-SNOKEQIZSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one (CID 102450032) is (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one is N[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one?
The InChIKey is XMIFAAHFVMUGPG-SNOKEQIZSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-13-7-9-14(10-8-13)20-15(16(19)17(20)21)11-6-12-4-2-1-3-5-12/h1-11,15-16H,19H2/b11-6+/t15-,16+/m1/s1.
What are the key properties of (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one?
(3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one has a molecular weight of 282.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-(4-fluorophenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one is sourced from PubChem (CID 102450032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).