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

C16H14Cl2N2O2 — CID 124503896

IUPAC(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-22-11-4-2-3-10(8-11)20-15(14(19)16(20)21)12-6-5-9(17)7-13(12)18/h2-8,14-15H,19H2,1H3/t14-,15-/m0/s1
InChIKeyWCJYOGMQYJECQY-GJZGRUSLSA-N
MW337.21 g/mol
LogP3.42
Rot. Bonds3

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

(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one (PubChem CID 124503896) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
PubChem CID124503896
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-22-11-4-2-3-10(8-11)20-15(14(19)16(20)21)12-6-5-9(17)7-13(12)18/h2-8,14-15H,19H2,1H3/t14-,15-/m0/s1
InChIKeyWCJYOGMQYJECQY-GJZGRUSLSA-N
XLogP3.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503552
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
CID 124504400
3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536978
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one (CID 124503896) is (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one is COc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one?
The InChIKey is WCJYOGMQYJECQY-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-22-11-4-2-3-10(8-11)20-15(14(19)16(20)21)12-6-5-9(17)7-13(12)18/h2-8,14-15H,19H2,1H3/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one?
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one has a molecular weight of 337.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124503896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).