(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one

C31H25F2NO3 — CID 68536977

IUPAC(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one
SMILESO=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C31H25F2NO3/c32-23-12-10-22(11-13-23)28(35)19-18-27-30(34(31(27)36)25-16-14-24(33)15-17-25)26-8-4-5-9-29(26)37-20-21-6-2-1-3-7-21/h1-17,27,30H,18-20H2/t27-,30-/m1/s1
InChIKeyLADINSKEIJAABA-POURPWNDSA-N
MW497.54 g/mol
LogP6.91
Rot. Bonds9

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

(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one (PubChem CID 68536977) has the molecular formula C31H25F2NO3 and a molecular weight of 497.54 g/mol. Its IUPAC name is (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one
PubChem CID68536977
Molecular FormulaC31H25F2NO3
Molecular Weight497.54 g/mol
Exact Mass497.18
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one
SMILESO=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1OCc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C31H25F2NO3/c32-23-12-10-22(11-13-23)28(35)19-18-27-30(34(31(27)36)25-16-14-24(33)15-17-25)26-8-4-5-9-29(26)37-20-21-6-2-1-3-7-21/h1-17,27,30H,18-20H2/t27-,30-/m1/s1
InChIKeyLADINSKEIJAABA-POURPWNDSA-N
XLogP6.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.54
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)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

Related Compounds

(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one;(3R,4S)-1-(4-fluorophenyl)-3-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one;(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one;methane;sulfane
CID 161133887
(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
(4R,5R)-3-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11555334
(3R,4S)-3-[3-(4-fluorocyclohexa-1,3-dien-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 131982766
(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phosphanyloxyphenyl)azetidin-2-one
CID 59660561
1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-prop-2-enoxyphenyl)azetidin-2-one
CID 68999271
methyl (E)-3-[4-[1-(4-fluorophenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]-3-phenylmethoxyphenyl]prop-2-enoate
CID 67811262
(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-[4-(3-hydroxyphenyl)-2-phenylmethoxyphenyl]-1-phenylazetidin-2-one
CID 11983593
(3R,4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 50923865
1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 58827441
1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-methoxyiminopropyl]-4-(4-phenylmethoxycyclohepta-1,3,5-trien-1-yl)azetidin-2-one
CID 90905504

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one (CID 68536977) is (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one is O=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1OCc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one?
The InChIKey is LADINSKEIJAABA-POURPWNDSA-N. The full InChI is InChI=1S/C31H25F2NO3/c32-23-12-10-22(11-13-23)28(35)19-18-27-30(34(31(27)36)25-16-14-24(33)15-17-25)26-8-4-5-9-29(26)37-20-21-6-2-1-3-7-21/h1-17,27,30H,18-20H2/t27-,30-/m1/s1.
What are the key properties of (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one?
(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one has a molecular weight of 497.54 g/mol, XLogP of 6.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(2-phenylmethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 68536977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).