(3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one

C24H19F2NO2 — CID 10644168

IUPAC(3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
SMILESO=C1[C@H](C/C=C/c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H19F2NO2/c25-18-8-4-16(5-9-18)2-1-3-22-23(17-6-14-21(28)15-7-17)27(24(22)29)20-12-10-19(26)11-13-20/h1-2,4-15,22-23,28H,3H2/b2-1+/t22-,23-/m1/s1
InChIKeyAZSOQJYDGATDAP-NVAVVYFISA-N
MW391.42 g/mol
LogP5.48
Rot. Bonds5

About (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one

(3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one (PubChem CID 10644168) has the molecular formula C24H19F2NO2 and a molecular weight of 391.42 g/mol. Its IUPAC name is (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
PubChem CID10644168
Molecular FormulaC24H19F2NO2
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one
SMILESO=C1[C@H](C/C=C/c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H19F2NO2/c25-18-8-4-16(5-9-18)2-1-3-22-23(17-6-14-21(28)15-7-17)27(24(22)29)20-12-10-19(26)11-13-20/h1-2,4-15,22-23,28H,3H2/b2-1+/t22-,23-/m1/s1
InChIKeyAZSOQJYDGATDAP-NVAVVYFISA-N
XLogP5.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one (CID 10644168) is (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one is O=C1[C@H](C/C=C/c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The InChIKey is AZSOQJYDGATDAP-NVAVVYFISA-N. The full InChI is InChI=1S/C24H19F2NO2/c25-18-8-4-16(5-9-18)2-1-3-22-23(17-6-14-21(28)15-7-17)27(24(22)29)20-12-10-19(26)11-13-20/h1-2,4-15,22-23,28H,3H2/b2-1+/t22-,23-/m1/s1.
What are the key properties of (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one?
(3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one has a molecular weight of 391.42 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-4-(4-hydroxyphenyl)azetidin-2-one is sourced from PubChem (CID 10644168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).