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

C16H15ClN2O — CID 124504268

IUPAC(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
SMILESN[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c17-13-9-5-4-8-12(13)15-14(18)16(20)19(15)10-11-6-2-1-3-7-11/h1-9,14-15H,10,18H2/t14-,15+/m1/s1
InChIKeyINXYQUOSYYURJR-CABCVRRESA-N
MW286.76 g/mol
LogP2.75
Rot. Bonds3

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

(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one (PubChem CID 124504268) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
PubChem CID124504268
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
SMILESN[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c17-13-9-5-4-8-12(13)15-14(18)16(20)19(15)10-11-6-2-1-3-7-11/h1-9,14-15H,10,18H2/t14-,15+/m1/s1
InChIKeyINXYQUOSYYURJR-CABCVRRESA-N
XLogP2.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
CID 124504287
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
CID 102537098
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060
3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one
CID 68641056
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)azetidin-2-one
CID 124503237
(3S,4R)-3-amino-4-(2-chlorophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503983
(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503552
3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536978
3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 102537119
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504340

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one (CID 124504268) is (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one is N[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl.
What is the InChIKey of (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one?
The InChIKey is INXYQUOSYYURJR-CABCVRRESA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-13-9-5-4-8-12(13)15-14(18)16(20)19(15)10-11-6-2-1-3-7-11/h1-9,14-15H,10,18H2/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one?
(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one has a molecular weight of 286.76 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one is sourced from PubChem (CID 124504268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).