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

C15H12Cl2N2O — CID 124503517

IUPAC(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
SMILESN[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-9-6-7-11(12(17)8-9)14-13(18)15(20)19(14)10-4-2-1-3-5-10/h1-8,13-14H,18H2/t13-,14+/m0/s1
InChIKeyBGAQQMMWUQPCJQ-UONOGXRCSA-N
MW307.18 g/mol
LogP3.41
Rot. Bonds2

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

(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one (PubChem CID 124503517) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
PubChem CID124503517
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
SMILESN[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O/c16-9-6-7-11(12(17)8-9)14-13(18)15(20)19(14)10-4-2-1-3-5-10/h1-8,13-14H,18H2/t13-,14+/m0/s1
InChIKeyBGAQQMMWUQPCJQ-UONOGXRCSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230
(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
CID 124504287
(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503552
3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536978
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
CID 124504400
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503983
2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 23761774
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one (CID 124503517) is (3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one is N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one?
The InChIKey is BGAQQMMWUQPCJQ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-9-6-7-11(12(17)8-9)14-13(18)15(20)19(14)10-4-2-1-3-5-10/h1-8,13-14H,18H2/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one?
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one has a molecular weight of 307.18 g/mol, XLogP of 3.41, 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-(2,4-dichlorophenyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 124503517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).