(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one

C22H18FNO2 — CID 10882566

IUPAC(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
SMILESO=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C22H18FNO2/c23-18-8-10-19(11-9-18)24-21(14-22(24)25)17-6-12-20(13-7-17)26-15-16-4-2-1-3-5-16/h1-13,21H,14-15H2/t21-/m0/s1
InChIKeyHWGWDJMHZKGCPW-NRFANRHFSA-N
MW347.39 g/mol
LogP4.88
Rot. Bonds5

About (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one

(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one (PubChem CID 10882566) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
PubChem CID10882566
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
SMILESO=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C22H18FNO2/c23-18-8-10-19(11-9-18)24-21(14-22(24)25)17-6-12-20(13-7-17)26-15-16-4-2-1-3-5-16/h1-13,21H,14-15H2/t21-/m0/s1
InChIKeyHWGWDJMHZKGCPW-NRFANRHFSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-3-prop-2-enylazetidin-2-one
CID 139413530
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)butyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 70916088
(3R,4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 50923865
1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 58827441
ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate
CID 54672052
(3Z,4R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropylidene]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 71120829
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one
CID 145351703
(3R,4S)-3-[3-(4-fluorocyclohexa-1,3-dien-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 131982766
1-(4-fluorophenyl)-6-phenylpiperidin-2-one
CID 14576903
(4R,5R)-3-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11555334
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one (CID 10882566) is (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one is O=C1C[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one?
The InChIKey is HWGWDJMHZKGCPW-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18FNO2/c23-18-8-10-19(11-9-18)24-21(14-22(24)25)17-6-12-20(13-7-17)26-15-16-4-2-1-3-5-16/h1-13,21H,14-15H2/t21-/m0/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one?
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one has a molecular weight of 347.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 10882566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).