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

C24H21F2NO2 — CID 10408252

IUPAC(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one
SMILESO=C1[C@H](CCCc2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H21F2NO2/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/h4-15,22-23,28H,1-3H2/t22-,23-/m1/s1
InChIKeyGPGSMLXOBVGHQH-DHIUTWEWSA-N
MW393.43 g/mol
LogP5.40
Rot. Bonds6

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

(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one (PubChem CID 10408252) has the molecular formula C24H21F2NO2 and a molecular weight of 393.43 g/mol. Its IUPAC name is (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one
PubChem CID10408252
Molecular FormulaC24H21F2NO2
Molecular Weight393.43 g/mol
Exact Mass393.15
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one
SMILESO=C1[C@H](CCCc2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H21F2NO2/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/h4-15,22-23,28H,1-3H2/t22-,23-/m1/s1
InChIKeyGPGSMLXOBVGHQH-DHIUTWEWSA-N
XLogP5.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one (CID 10408252) is (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one is O=C1[C@H](CCCc2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one?
The InChIKey is GPGSMLXOBVGHQH-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H21F2NO2/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/h4-15,22-23,28H,1-3H2/t22-,23-/m1/s1.
What are the key properties of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one?
(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one has a molecular weight of 393.43 g/mol, XLogP of 5.40, 6 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-[3-(4-fluorophenyl)propyl]-4-(4-hydroxyphenyl)azetidin-2-one is sourced from PubChem (CID 10408252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).