4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one

C21H15FINO — CID 15159091

IUPAC4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one
SMILESO=C1C(c2ccccc2)C(c2ccc(F)cc2)N1c1ccc(I)cc1
InChIInChI=1S/C21H15FINO/c22-16-8-6-15(7-9-16)20-19(14-4-2-1-3-5-14)21(25)24(20)18-12-10-17(23)11-13-18/h1-13,19-20H
InChIKeyBINZOVGXESNZQG-UHFFFAOYSA-N
MW443.26 g/mol
LogP5.30
Rot. Bonds3

About 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one

4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one (PubChem CID 15159091) has the molecular formula C21H15FINO and a molecular weight of 443.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one
PubChem CID15159091
Molecular FormulaC21H15FINO
Molecular Weight443.26 g/mol
Exact Mass443.02
IUPAC Name4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one
SMILESO=C1C(c2ccccc2)C(c2ccc(F)cc2)N1c1ccc(I)cc1
InChIInChI=1S/C21H15FINO/c22-16-8-6-15(7-9-16)20-19(14-4-2-1-3-5-14)21(25)24(20)18-12-10-17(23)11-13-18/h1-13,19-20H
InChIKeyBINZOVGXESNZQG-UHFFFAOYSA-N
XLogP5.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.26
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
CID 124503328
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
1-(4-bromophenyl)-4-(4-nitrophenyl)-3-phenylazetidin-2-one
CID 15159107
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
1,5,6-triphenyl-1,3-diazinane-2,4-dione
CID 602445
(4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one
CID 59264461
2-[1-(4-bromophenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 6617981
[4-[(2S,3R)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-iodophenyl)-4-oxoazetidin-1-yl]phenyl] trifluoromethanesulfonate
CID 87532821
(3aR,4R,7S,7aS)-2-(4-fluorophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7238002
(3R,4R)-4-(furan-2-yl)-1,3-diphenylazetidin-2-one
CID 11346786
(2R,6R,7R,9S,13S,14R)-4,11-bis(4-fluorophenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 11946844

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one (CID 15159091) is 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one is O=C1C(c2ccccc2)C(c2ccc(F)cc2)N1c1ccc(I)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one?
The InChIKey is BINZOVGXESNZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FINO/c22-16-8-6-15(7-9-16)20-19(14-4-2-1-3-5-14)21(25)24(20)18-12-10-17(23)11-13-18/h1-13,19-20H.
What are the key properties of 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one?
4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one has a molecular weight of 443.26 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one is sourced from PubChem (CID 15159091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).