(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

C16H12ClF3N2O — CID 124503651

IUPAC(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H12ClF3N2O/c17-11-5-1-3-9(7-11)14-13(21)15(23)22(14)12-6-2-4-10(8-12)16(18,19)20/h1-8,13-14H,21H2/t13-,14+/m0/s1
InChIKeyXXNQIEPXRHEHMZ-UONOGXRCSA-N
MW340.73 g/mol
LogP3.77
Rot. Bonds2

About (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 124503651) has the molecular formula C16H12ClF3N2O and a molecular weight of 340.73 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID124503651
Molecular FormulaC16H12ClF3N2O
Molecular Weight340.73 g/mol
Exact Mass340.06
IUPAC Name(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H12ClF3N2O/c17-11-5-1-3-9(7-11)14-13(21)15(23)22(14)12-6-2-4-10(8-12)16(18,19)20/h1-8,13-14H,21H2/t13-,14+/m0/s1
InChIKeyXXNQIEPXRHEHMZ-UONOGXRCSA-N
XLogP3.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536951
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503553
3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536929
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
(3R,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503645
(3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503659
3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536933
(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503570
3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102537065
3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one
CID 112757920
2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3865771
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one (CID 124503651) is (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one is N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is XXNQIEPXRHEHMZ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H12ClF3N2O/c17-11-5-1-3-9(7-11)14-13(21)15(23)22(14)12-6-2-4-10(8-12)16(18,19)20/h1-8,13-14H,21H2/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 340.73 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 124503651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).