(3R,4R)-1-(4-Fluorophenyl)-3-((R)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one

C₂₄H₂₁F₂NO₃CAS 1593542-96-1409.43 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide Lactam Phenol

Properties

Molecular formula: C₂₄H₂₁F₂NO₃
Molar mass: 409.43 g/mol
Exact mass: 409.1489 Da
logP: 4.89Crippen estimate
Polar surface area: 60.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: R, R, Rin SMILES atom order

Identifiers

CAS number

1593542-96-1

SMILES

C1=CC(=CC=C1[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@H](C4=CC=C(C=C4)F)O)O

InChIKey

OLNTVTPDXPETLC-ZLNRFVROSA-N

InChI

InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22-,23+/m1/s1

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Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3R,4S)-1-(4-Fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one191330-56-069 % similar (3R,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(phenylmethoxy)phenyl]-2-azetidinone163222-32-067 % similar 4-Fluoro-4′-hydroxybenzophenone25913-05-737 % similar (4S)-3-[(5S)-5-(4-Fluorophenyl)-5-hydroxy-1-oxopentyl]-4-phenyl-2-oxazolidinone189028-95-335 % similar 4-Fluoromandelic acid395-33-535 % similar Oxazolidin129-20-435 % similar 4-Fluorophenol371-41-535 % similar Synephrine tartrate16589-24-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(3S,4S)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-2-azetidinone1593543-07-7 Ezetimibe163222-33-1

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