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

C17H17ClN2O2 — CID 124504213

IUPAC(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-22-14-9-7-13(8-10-14)20-16(15(19)17(20)21)11-3-5-12(18)6-4-11/h3-10,15-16H,2,19H2,1H3/t15-,16+/m0/s1
InChIKeyZZCARHSUPXOKSB-JKSUJKDBSA-N
MW316.79 g/mol
LogP3.15
Rot. Bonds4

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

(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one (PubChem CID 124504213) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
PubChem CID124504213
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-2-22-14-9-7-13(8-10-14)20-16(15(19)17(20)21)11-3-5-12(18)6-4-11/h3-10,15-16H,2,19H2,1H3/t15-,16+/m0/s1
InChIKeyZZCARHSUPXOKSB-JKSUJKDBSA-N
XLogP3.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124504187
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230
4-(4-aminophenyl)-3-(4-chlorophenoxy)-1-(4-ethoxyphenyl)azetidin-2-one
CID 71534361
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504085
(3S,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504201
(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one
CID 124504219
3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
CID 112757927
3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102537065
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one (CID 124504213) is (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one is CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one?
The InChIKey is ZZCARHSUPXOKSB-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-22-14-9-7-13(8-10-14)20-16(15(19)17(20)21)11-3-5-12(18)6-4-11/h3-10,15-16H,2,19H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one?
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one has a molecular weight of 316.79 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124504213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).