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

C16H14Cl2N2O2 — CID 124503922

IUPAC(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-22-11-4-2-3-9(7-11)15-14(19)16(21)20(15)10-5-6-12(17)13(18)8-10/h2-8,14-15H,19H2,1H3/t14-,15+/m1/s1
InChIKeyMGIXLOJDMLCGNH-CABCVRRESA-N
MW337.21 g/mol
LogP3.42
Rot. Bonds3

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

(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one (PubChem CID 124503922) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
PubChem CID124503922
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-22-11-4-2-3-9(7-11)15-14(19)16(21)20(15)10-5-6-12(17)13(18)8-10/h2-8,14-15H,19H2,1H3/t14-,15+/m1/s1
InChIKeyMGIXLOJDMLCGNH-CABCVRRESA-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

(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588
(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124503912
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504145
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
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
(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124504026
(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124503943
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535
2-(3,4-dichlorophenyl)-1-(3-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3707461

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one (CID 124503922) is (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one is COc1cccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The InChIKey is MGIXLOJDMLCGNH-CABCVRRESA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-22-11-4-2-3-9(7-11)15-14(19)16(21)20(15)10-5-6-12(17)13(18)8-10/h2-8,14-15H,19H2,1H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one?
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(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 (3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124503922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).