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

C17H17ClN2O3 — CID 124504031

IUPAC(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc([C@@H]2[C@H](N)C(=O)N2c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O3/c1-22-12-5-3-4-10(8-12)16-15(19)17(21)20(16)11-6-7-14(23-2)13(18)9-11/h3-9,15-16H,19H2,1-2H3/t15-,16+/m0/s1
InChIKeyMTTFYUPIGSPULU-JKSUJKDBSA-N
MW332.79 g/mol
LogP2.77
Rot. Bonds4

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

(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one (PubChem CID 124504031) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
PubChem CID124504031
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
SMILESCOc1cccc([C@@H]2[C@H](N)C(=O)N2c2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C17H17ClN2O3/c1-22-12-5-3-4-10(8-12)16-15(19)17(21)20(16)11-6-7-14(23-2)13(18)9-11/h3-9,15-16H,19H2,1-2H3/t15-,16+/m0/s1
InChIKeyMTTFYUPIGSPULU-JKSUJKDBSA-N
XLogP2.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124504026
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
(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
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503896
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030
(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one (CID 124504031) is (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one is COc1cccc([C@@H]2[C@H](N)C(=O)N2c2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one?
The InChIKey is MTTFYUPIGSPULU-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-22-12-5-3-4-10(8-12)16-15(19)17(21)20(16)11-6-7-14(23-2)13(18)9-11/h3-9,15-16H,19H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one?
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one has a molecular weight of 332.79 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124504031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).