1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one

C25H21F2NO3 — CID 75582712

IUPAC1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
SMILESO=C1C(CC=C(CO)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C25H21F2NO3/c26-19-6-1-16(2-7-19)18(15-29)5-14-23-24(17-3-12-22(30)13-4-17)28(25(23)31)21-10-8-20(27)9-11-21/h1-13,23-24,29-30H,14-15H2
InChIKeyHEHHPZYUXSFAPV-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.84
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one

1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one (PubChem CID 75582712) has the molecular formula C25H21F2NO3 and a molecular weight of 421.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
PubChem CID75582712
Molecular FormulaC25H21F2NO3
Molecular Weight421.44 g/mol
Exact Mass421.15
IUPAC Name1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
SMILESO=C1C(CC=C(CO)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C25H21F2NO3/c26-19-6-1-16(2-7-19)18(15-29)5-14-23-24(17-3-12-22(30)13-4-17)28(25(23)31)21-10-8-20(27)9-11-21/h1-13,23-24,29-30H,14-15H2
InChIKeyHEHHPZYUXSFAPV-UHFFFAOYSA-N
XLogP4.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-methoxyphenyl)azetidin-2-one
CID 163873476
(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
(3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 134694353
ethane;(3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 143563275
[(E)-2-(4-fluorophenyl)-4-[(2S,3R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl]but-2-enyl] acetate
CID 67991598
[(Z)-2-(4-fluorophenyl)-4-[(2S,3R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl]but-2-enyl] acetate
CID 50923999
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)azetidin-2-one
CID 11101767
(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)azetidin-2-one
CID 71316703
(3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 54156639
(3R,4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-[(3S)-1,1,2,2,3-pentadeuterio-3-(4-fluorophenyl)-3-hydroxypropyl]azetidin-2-one
CID 25145353
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one
CID 69439202

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one (CID 75582712) is 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one is O=C1C(CC=C(CO)c2ccc(F)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The InChIKey is HEHHPZYUXSFAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2NO3/c26-19-6-1-16(2-7-19)18(15-29)5-14-23-24(17-3-12-22(30)13-4-17)28(25(23)31)21-10-8-20(27)9-11-21/h1-13,23-24,29-30H,14-15H2.
What are the key properties of 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one?
1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one has a molecular weight of 421.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one is sourced from PubChem (CID 75582712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).