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

C17H17ClN2O — CID 124503983

IUPAC(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClN2O/c1-10-7-8-12(9-11(10)2)20-16(15(19)17(20)21)13-5-3-4-6-14(13)18/h3-9,15-16H,19H2,1-2H3/t15-,16+/m0/s1
InChIKeyJMLHMHCCTOVAAU-JKSUJKDBSA-N
MW300.79 g/mol
LogP3.37
Rot. Bonds2

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

(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one (PubChem CID 124503983) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
PubChem CID124503983
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
SMILESCc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2Cl)cc1C
InChIInChI=1S/C17H17ClN2O/c1-10-7-8-12(9-11(10)2)20-16(15(19)17(20)21)13-5-3-4-6-14(13)18/h3-9,15-16H,19H2,1-2H3/t15-,16+/m0/s1
InChIKeyJMLHMHCCTOVAAU-JKSUJKDBSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503552
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536978
(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
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503973
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517
(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124504000
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030
(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503605
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 (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one (CID 124503983) is (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one is Cc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2Cl)cc1C.
What is the InChIKey of (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
The InChIKey is JMLHMHCCTOVAAU-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10-7-8-12(9-11(10)2)20-16(15(19)17(20)21)13-5-3-4-6-14(13)18/h3-9,15-16H,19H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one?
(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one has a molecular weight of 300.79 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one is sourced from PubChem (CID 124503983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).