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

C17H16Cl2N2O — CID 124503943

IUPAC(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
SMILESCCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O/c1-2-10-3-5-11(6-4-10)16-15(20)17(22)21(16)12-7-8-13(18)14(19)9-12/h3-9,15-16H,2,20H2,1H3/t15-,16+/m0/s1
InChIKeyPYTVKHOJNPMDIL-JKSUJKDBSA-N
MW335.23 g/mol
LogP3.97
Rot. Bonds3

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

(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one (PubChem CID 124503943) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
PubChem CID124503943
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
SMILESCCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2N2O/c1-2-10-3-5-11(6-4-10)16-15(20)17(22)21(16)12-7-8-13(18)14(19)9-12/h3-9,15-16H,2,20H2,1H3/t15-,16+/m0/s1
InChIKeyPYTVKHOJNPMDIL-JKSUJKDBSA-N
XLogP3.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124504000
(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
CID 124503509
(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124503912
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504145
(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124504026
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504085
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503973
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one (CID 124503943) is (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one is CCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one?
The InChIKey is PYTVKHOJNPMDIL-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-2-10-3-5-11(6-4-10)16-15(20)17(22)21(16)12-7-8-13(18)14(19)9-12/h3-9,15-16H,2,20H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one?
(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one has a molecular weight of 335.23 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one is sourced from PubChem (CID 124503943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).