(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one

C16H14Cl2N2O — CID 124504287

IUPAC(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
SMILESN[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-11-6-7-12(13(18)8-11)15-14(19)16(21)20(15)9-10-4-2-1-3-5-10/h1-8,14-15H,9,19H2/t14-,15+/m1/s1
InChIKeyXXGSLTJRFBSTIB-CABCVRRESA-N
MW321.21 g/mol
LogP3.40
Rot. Bonds3

About (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one

(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one (PubChem CID 124504287) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
PubChem CID124504287
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
SMILESN[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-11-6-7-12(13(18)8-11)15-14(19)16(21)20(15)9-10-4-2-1-3-5-10/h1-8,14-15H,9,19H2/t14-,15+/m1/s1
InChIKeyXXGSLTJRFBSTIB-CABCVRRESA-N
XLogP3.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
CID 124504268
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
CID 124504400
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
3-acetyl-1-benzyl-2-(2,4-dichlorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 10134094
3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
CID 102537098
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503896
3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 102537119
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504340
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one (CID 124504287) is (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one is N[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one?
The InChIKey is XXGSLTJRFBSTIB-CABCVRRESA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-11-6-7-12(13(18)8-11)15-14(19)16(21)20(15)9-10-4-2-1-3-5-10/h1-8,14-15H,9,19H2/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one?
(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one has a molecular weight of 321.21 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one is sourced from PubChem (CID 124504287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).