(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one

C16H15ClN2O — CID 124503552

IUPAC(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
SMILESCc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-10-5-4-6-11(9-10)19-15(14(18)16(19)20)12-7-2-3-8-13(12)17/h2-9,14-15H,18H2,1H3/t14-,15+/m1/s1
InChIKeyGESSSQOIMVUDOF-CABCVRRESA-N
MW286.76 g/mol
LogP3.06
Rot. Bonds2

About (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one

(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one (PubChem CID 124503552) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
PubChem CID124503552
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
SMILESCc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClN2O/c1-10-5-4-6-11(9-10)19-15(14(18)16(19)20)12-7-2-3-8-13(12)17/h2-9,14-15H,18H2,1H3/t14-,15+/m1/s1
InChIKeyGESSSQOIMVUDOF-CABCVRRESA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)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

3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536978
(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503983
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536929
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503553
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517
(3R,4S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)azetidin-2-one
CID 124503706
(3R,4R)-3-amino-4-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidin-2-one
CID 124503817
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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one (CID 124503552) is (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one is Cc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2Cl)c1.
What is the InChIKey of (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The InChIKey is GESSSQOIMVUDOF-CABCVRRESA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-5-4-6-11(9-10)19-15(14(18)16(19)20)12-7-2-3-8-13(12)17/h2-9,14-15H,18H2,1H3/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one has a molecular weight of 286.76 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one is sourced from PubChem (CID 124503552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).