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

C18H19ClN2O4 — CID 124504026

IUPAC(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-23-13-7-5-11(9-12(13)19)21-17(16(20)18(21)22)10-4-6-14(24-2)15(8-10)25-3/h4-9,16-17H,20H2,1-3H3/t16-,17+/m1/s1
InChIKeyQEMHNPTVGOQOCL-SJORKVTESA-N
MW362.81 g/mol
LogP2.78
Rot. Bonds5

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

(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one (PubChem CID 124504026) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
PubChem CID124504026
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-23-13-7-5-11(9-12(13)19)21-17(16(20)18(21)22)10-4-6-14(24-2)15(8-10)25-3/h4-9,16-17H,20H2,1-3H3/t16-,17+/m1/s1
InChIKeyQEMHNPTVGOQOCL-SJORKVTESA-N
XLogP2.78
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124503912
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124503943
4,5,6,7-tetrachloro-2-[(2R,3S)-2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 98122337
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
(3R,4S)-3-(4-chloro-2-methylphenoxy)-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 1046306
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one (CID 124504026) is (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one is COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl.
What is the InChIKey of (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one?
The InChIKey is QEMHNPTVGOQOCL-SJORKVTESA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-23-13-7-5-11(9-12(13)19)21-17(16(20)18(21)22)10-4-6-14(24-2)15(8-10)25-3/h4-9,16-17H,20H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one?
(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one has a molecular weight of 362.81 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124504026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).