(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one

C16H15FN2O — CID 124503605

IUPAC(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c1-10-6-8-11(9-7-10)19-15(14(18)16(19)20)12-4-2-3-5-13(12)17/h2-9,14-15H,18H2,1H3/t14-,15-/m1/s1
InChIKeyBTLJADVAJWCYCX-HUUCEWRRSA-N
MW270.31 g/mol
LogP2.55
Rot. Bonds2

About (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one

(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one (PubChem CID 124503605) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
PubChem CID124503605
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O/c1-10-6-8-11(9-7-10)19-15(14(18)16(19)20)12-4-2-3-5-13(12)17/h2-9,14-15H,18H2,1H3/t14-,15-/m1/s1
InChIKeyBTLJADVAJWCYCX-HUUCEWRRSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one (CID 124503605) is (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one is Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2F)cc1.
What is the InChIKey of (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one?
The InChIKey is BTLJADVAJWCYCX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-6-8-11(9-7-10)19-15(14(18)16(19)20)12-4-2-3-5-13(12)17/h2-9,14-15H,18H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one?
(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 124503605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).