3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one

C17H17FN2O — CID 102537109

IUPAC3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(C2C(N)C(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O/c1-11-2-6-13(7-3-11)16-15(19)17(21)20(16)10-12-4-8-14(18)9-5-12/h2-9,15-16H,10,19H2,1H3
InChIKeyKHWAWXITJWCLBB-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.54
Rot. Bonds3

About 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one

3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one (PubChem CID 102537109) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
PubChem CID102537109
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(C2C(N)C(=O)N2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O/c1-11-2-6-13(7-3-11)16-15(19)17(21)20(16)10-12-4-8-14(18)9-5-12/h2-9,15-16H,10,19H2,1H3
InChIKeyKHWAWXITJWCLBB-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504311
(3S,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503191
(3R,4R)-3-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 124503193
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072901
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
1-[(4-fluorophenyl)methyl]-4-[(4-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520207
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073298
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one (CID 102537109) is 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one is Cc1ccc(C2C(N)C(=O)N2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is KHWAWXITJWCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-2-6-13(7-3-11)16-15(19)17(21)20(16)10-12-4-8-14(18)9-5-12/h2-9,15-16H,10,19H2,1H3.
What are the key properties of 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 284.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 102537109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).