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

C17H16Cl2N2O2 — CID 124504230

IUPAC(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-23-12-6-4-11(5-7-12)21-16(15(20)17(21)22)13-8-3-10(18)9-14(13)19/h3-9,15-16H,2,20H2,1H3/t15-,16-/m1/s1
InChIKeyXNTCZJARRKATKW-HZPDHXFCSA-N
MW351.23 g/mol
LogP3.81
Rot. Bonds4

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

(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one (PubChem CID 124504230) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
PubChem CID124504230
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-23-12-6-4-11(5-7-12)21-16(15(20)17(21)22)13-8-3-10(18)9-14(13)19/h3-9,15-16H,2,20H2,1H3/t15-,16-/m1/s1
InChIKeyXNTCZJARRKATKW-HZPDHXFCSA-N
XLogP3.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)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

(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517
3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 102537012
(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one
CID 124504219
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503896
(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124504187
3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
CID 112757927
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
CID 124504400
(3S,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504201
4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one
CID 71534361
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one (CID 124504230) is (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one is CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one?
The InChIKey is XNTCZJARRKATKW-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-23-12-6-4-11(5-7-12)21-16(15(20)17(21)22)13-8-3-10(18)9-14(13)19/h3-9,15-16H,2,20H2,1H3/t15-,16-/m1/s1.
What are the key properties of (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one?
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one has a molecular weight of 351.23 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124504230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).