1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one

C24H21F2NO3 — CID 145351703

IUPAC1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one
SMILESCCC(=O)c1ccc(F)cc1.O=C1CC(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C15H12FNO2.C9H9FO/c16-11-3-5-12(6-4-11)17-14(9-15(17)19)10-1-7-13(18)8-2-10;1-2-9(11)7-3-5-8(10)6-4-7/h1-8,14,18H,9H2;3-6H,2H2,1H3
InChIKeyYPCCWTISJLEEEH-UHFFFAOYSA-N
MW409.43 g/mol
LogP5.43
Rot. Bonds4

About 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one

1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one (PubChem CID 145351703) has the molecular formula C24H21F2NO3 and a molecular weight of 409.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one
PubChem CID145351703
Molecular FormulaC24H21F2NO3
Molecular Weight409.43 g/mol
Exact Mass409.15
IUPAC Name1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one
SMILESCCC(=O)c1ccc(F)cc1.O=C1CC(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C15H12FNO2.C9H9FO/c16-11-3-5-12(6-4-11)17-14(9-15(17)19)10-1-7-13(18)8-2-10;1-2-9(11)7-3-5-8(10)6-4-7/h1-8,14,18H,9H2;3-6H,2H2,1H3
InChIKeyYPCCWTISJLEEEH-UHFFFAOYSA-N
XLogP5.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.43
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;(1S)-1-(4-fluorophenyl)propan-1-ol
CID 143251553
1-(4-hydroxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 143669012
(1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane
CID 143439196
ethane;(3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 143563275
(3R)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 134694353
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
acetylene;ethane;1-(4-fluorophenyl)-4-[(2E,4Z)-hexa-2,4-dienyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-one
CID 143425449
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721518
1-(4-fluorophenyl)-3-[(2R,3S)-1-(4-fluorophenyl)-2-(4-hydroxyphenyl)-4-methylideneazetidin-3-yl]propan-1-one
CID 69281224
1,4-bis[4-[3,4-dihydroxy-3-(hydroxymethyl)butyl]phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721615
4-tert-butyl-1-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512255

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one (CID 145351703) is 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one is CCC(=O)c1ccc(F)cc1.O=C1CC(c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one?
The InChIKey is YPCCWTISJLEEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2.C9H9FO/c16-11-3-5-12(6-4-11)17-14(9-15(17)19)10-1-7-13(18)8-2-10;1-2-9(11)7-3-5-8(10)6-4-7/h1-8,14,18H,9H2;3-6H,2H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one?
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one has a molecular weight of 409.43 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 145351703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).