(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one

C32H29F2NO2 — CID 143047029

IUPAC(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc([C@@H]2C(CC[C@H](OCc3ccccc3)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C32H29F2NO2/c1-22-7-9-25(10-8-22)31-29(32(36)35(31)28-17-15-27(34)16-18-28)19-20-30(24-11-13-26(33)14-12-24)37-21-23-5-3-2-4-6-23/h2-18,29-31H,19-21H2,1H3/t29?,30-,31+/m0/s1
InChIKeyUTZYKLJQPVTCNH-CJZYSFCQSA-N
MW497.59 g/mol
LogP7.72
Rot. Bonds9

About (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one

(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one (PubChem CID 143047029) has the molecular formula C32H29F2NO2 and a molecular weight of 497.59 g/mol. Its IUPAC name is (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one
PubChem CID143047029
Molecular FormulaC32H29F2NO2
Molecular Weight497.59 g/mol
Exact Mass497.22
IUPAC Name(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc([C@@H]2C(CC[C@H](OCc3ccccc3)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1
InChIInChI=1S/C32H29F2NO2/c1-22-7-9-25(10-8-22)31-29(32(36)35(31)28-17-15-27(34)16-18-28)19-20-30(24-11-13-26(33)14-12-24)37-21-23-5-3-2-4-6-23/h2-18,29-31H,19-21H2,1H3/t29?,30-,31+/m0/s1
InChIKeyUTZYKLJQPVTCNH-CJZYSFCQSA-N
XLogP7.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-(4-fluorophenyl)-3-[3-hydroxy-3-(4-methylphenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 122227822
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)butyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 70916088
1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 58827441
methyl (2S,3S,4S,5R,6S)-6-[4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-oxoazetidin-2-yl]phenoxy]-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
CID 140514824
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-phenylphenyl)azetidin-2-one
CID 59643937
(3R,4S)-3-[(3S)-3-[tert-butyl(diphenyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one
CID 57369484
[1-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-oxoazetidin-3-yl]propyl] acetate
CID 22252070
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one
CID 69439202
dibenzyl 2-[3-[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-hydroxyphenyl)-4-oxoazetidin-2-yl]phenyl]prop-2-ynyl]propanedioate
CID 143996783
(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,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
(3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 54156639

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one (CID 143047029) is (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one is Cc1ccc([C@@H]2C(CC[C@H](OCc3ccccc3)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1.
What is the InChIKey of (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is UTZYKLJQPVTCNH-CJZYSFCQSA-N. The full InChI is InChI=1S/C32H29F2NO2/c1-22-7-9-25(10-8-22)31-29(32(36)35(31)28-17-15-27(34)16-18-28)19-20-30(24-11-13-26(33)14-12-24)37-21-23-5-3-2-4-6-23/h2-18,29-31H,19-21H2,1H3/t29?,30-,31+/m0/s1.
What are the key properties of (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one?
(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 497.59 g/mol, XLogP of 7.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-phenylmethoxypropyl]-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 143047029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).