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

C16H15ClN2O — CID 102536930

IUPAC3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
SMILESCc1cccc(N2C(=O)C(N)C2c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O/c1-10-3-2-4-13(9-10)19-15(14(18)16(19)20)11-5-7-12(17)8-6-11/h2-9,14-15H,18H2,1H3
InChIKeyAEIHWHJHLOUVTG-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.06
Rot. Bonds2

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

3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one (PubChem CID 102536930) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
PubChem CID102536930
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
SMILESCc1cccc(N2C(=O)C(N)C2c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O/c1-10-3-2-4-13(9-10)19-15(14(18)16(19)20)11-5-7-12(17)8-6-11/h2-9,14-15H,18H2,1H3
InChIKeyAEIHWHJHLOUVTG-UHFFFAOYSA-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-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503553
3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536929
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
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503552
(3R,4R)-3-amino-4-(3-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504101
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 124504085
(3S,4S)-3-amino-4-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidin-2-one
CID 124503824
3-amino-1-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102537065
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one (CID 102536930) is 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one is Cc1cccc(N2C(=O)C(N)C2c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
The InChIKey is AEIHWHJHLOUVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-3-2-4-13(9-10)19-15(14(18)16(19)20)11-5-7-12(17)8-6-11/h2-9,14-15H,18H2,1H3.
What are the key properties of 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one?
3-amino-4-(4-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 3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one is sourced from PubChem (CID 102536930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).