(4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one

C26H23F2NO3 — CID 163873476

IUPAC(4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2C(C/C=C(\CO)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H23F2NO3/c1-32-23-13-4-18(5-14-23)25-24(26(31)29(25)22-11-9-21(28)10-12-22)15-6-19(16-30)17-2-7-20(27)8-3-17/h2-14,24-25,30H,15-16H2,1H3/b19-6+/t24?,25-/m1/s1
InChIKeyPMWGYXGCWUVNSX-NTGZNJEKSA-N
MW435.47 g/mol
LogP5.14
Rot. Bonds7

About (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one

(4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one (PubChem CID 163873476) has the molecular formula C26H23F2NO3 and a molecular weight of 435.47 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one
PubChem CID163873476
Molecular FormulaC26H23F2NO3
Molecular Weight435.47 g/mol
Exact Mass435.16
IUPAC Name(4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2C(C/C=C(\CO)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H23F2NO3/c1-32-23-13-4-18(5-14-23)25-24(26(31)29(25)22-11-9-21(28)10-12-22)15-6-19(16-30)17-2-7-20(27)8-3-17/h2-14,24-25,30H,15-16H2,1H3/b19-6+/t24?,25-/m1/s1
InChIKeyPMWGYXGCWUVNSX-NTGZNJEKSA-N
XLogP5.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(Z)-2-(4-fluorophenyl)-4-[(2S,3R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl]but-2-enyl] acetate
CID 50923999
[(E)-2-(4-fluorophenyl)-4-[(2S,3R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl]but-2-enyl] acetate
CID 67991598
1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 75582712
(3R,4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 50923865
[(Z)-2-(4-fluorophenyl)-4-[(2S,3R)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]but-2-enyl] 4-methylbenzoate
CID 50924001
[4-[(3R)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)-6-[hydroxy(dimethyl)silyl]-6-methylhept-2-enyl]-4-oxoazetidin-2-yl]phenyl] benzoate
CID 67991560
methyl 3-[(2S,3R)-1-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-oxoazetidin-3-yl]propanoate
CID 69122913
(3R,4S)-3-[3,3-bis(4-fluorophenyl)-3-hydroxypropyl]-1-(4-bromophenyl)-4-(4-methoxyphenyl)azetidin-2-one
CID 42604366
(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one
CID 59660561
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-prop-2-enoxyphenyl)azetidin-2-one
CID 68999271

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one (CID 163873476) is (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2C(C/C=C(\CO)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is PMWGYXGCWUVNSX-NTGZNJEKSA-N. The full InChI is InChI=1S/C26H23F2NO3/c1-32-23-13-4-18(5-14-23)25-24(26(31)29(25)22-11-9-21(28)10-12-22)15-6-19(16-30)17-2-7-20(27)8-3-17/h2-14,24-25,30H,15-16H2,1H3/b19-6+/t24?,25-/m1/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one?
(4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 435.47 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 163873476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).