3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one

C31H27F2NO2 — CID 69246279

IUPAC3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
SMILESCCC(c1ccc(F)cc1)N1C(=O)C(c2ccc(F)cc2)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H27F2NO2/c1-2-28(22-8-14-25(32)15-9-22)34-30(29(31(34)35)23-10-16-26(33)17-11-23)24-12-18-27(19-13-24)36-20-21-6-4-3-5-7-21/h3-19,28-30H,2,20H2,1H3
InChIKeyCDIFKIXIMKKQIK-UHFFFAOYSA-N
MW483.56 g/mol
LogP7.36
Rot. Bonds8

About 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one

3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one (PubChem CID 69246279) has the molecular formula C31H27F2NO2 and a molecular weight of 483.56 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
PubChem CID69246279
Molecular FormulaC31H27F2NO2
Molecular Weight483.56 g/mol
Exact Mass483.20
IUPAC Name3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
SMILESCCC(c1ccc(F)cc1)N1C(=O)C(c2ccc(F)cc2)C1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H27F2NO2/c1-2-28(22-8-14-25(32)15-9-22)34-30(29(31(34)35)23-10-16-26(33)17-11-23)24-12-18-27(19-13-24)36-20-21-6-4-3-5-7-21/h3-19,28-30H,2,20H2,1H3
InChIKeyCDIFKIXIMKKQIK-UHFFFAOYSA-N
XLogP7.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.56
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(3R,4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-3-prop-2-enylazetidin-2-one
CID 139413530
(3R,4S)-1-(4-fluorophenyl)-3-[3-hydroxy-3-(4-methylphenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 122227822
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
(3R,4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 50923865
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate
CID 54672052
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
(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
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one (CID 69246279) is 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one is CCC(c1ccc(F)cc1)N1C(=O)C(c2ccc(F)cc2)C1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one?
The InChIKey is CDIFKIXIMKKQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2NO2/c1-2-28(22-8-14-25(32)15-9-22)34-30(29(31(34)35)23-10-16-26(33)17-11-23)24-12-18-27(19-13-24)36-20-21-6-4-3-5-7-21/h3-19,28-30H,2,20H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one?
3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one has a molecular weight of 483.56 g/mol, XLogP of 7.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 69246279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).