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

C16H15ClN2O — CID 124503553

IUPAC(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
SMILESCc1cccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClN2O/c1-10-4-2-7-13(8-10)19-15(14(18)16(19)20)11-5-3-6-12(17)9-11/h2-9,14-15H,18H2,1H3/t14-,15+/m0/s1
InChIKeyHUILUADKMQLMRD-LSDHHAIUSA-N
MW286.76 g/mol
LogP3.06
Rot. Bonds2

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

(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one (PubChem CID 124503553) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
PubChem CID124503553
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
SMILESCc1cccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClN2O/c1-10-4-2-7-13(8-10)19-15(14(18)16(19)20)11-5-3-6-12(17)9-11/h2-9,14-15H,18H2,1H3/t14-,15+/m0/s1
InChIKeyHUILUADKMQLMRD-LSDHHAIUSA-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

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Related Compounds

3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536929
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923
3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536951
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503651
(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503552
3-amino-1-(3-chlorophenyl)-4-methylazetidin-2-one
CID 112757920
3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536933
(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503570
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one (CID 124503553) is (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one is Cc1cccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(Cl)c2)c1.
What is the InChIKey of (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The InChIKey is HUILUADKMQLMRD-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-4-2-7-13(8-10)19-15(14(18)16(19)20)11-5-3-6-12(17)9-11/h2-9,14-15H,18H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
(3S,4R)-3-amino-4-(3-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 (3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one is sourced from PubChem (CID 124503553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).