2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione

C25H19FN2O4 — CID 6617999

IUPAC2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
SMILESCOc1cccc(C2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1
InChIInChI=1S/C25H19FN2O4/c1-14-10-11-16(13-20(14)26)27-21(15-6-5-7-17(12-15)32-2)22(25(27)31)28-23(29)18-8-3-4-9-19(18)24(28)30/h3-13,21-22H,1-2H3
InChIKeyOYHOSWFJEZDWDS-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.90
Rot. Bonds4

About 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione

2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione (PubChem CID 6617999) has the molecular formula C25H19FN2O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
PubChem CID6617999
Molecular FormulaC25H19FN2O4
Molecular Weight430.44 g/mol
Exact Mass430.13
IUPAC Name2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
SMILESCOc1cccc(C2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1
InChIInChI=1S/C25H19FN2O4/c1-14-10-11-16(13-20(14)26)27-21(15-6-5-7-17(12-15)32-2)22(25(27)31)28-23(29)18-8-3-4-9-19(18)24(28)30/h3-13,21-22H,1-2H3
InChIKeyOYHOSWFJEZDWDS-UHFFFAOYSA-N
XLogP3.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(2S,3R)-2-(2,5-dimethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-5-nitroisoindole-1,3-dione
CID 92847849
2-[1-(3-fluoro-4-methylphenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]-4-nitroisoindole-1,3-dione
CID 15991908
(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
4,5,6,7-tetrachloro-2-[(2S,3R)-2-(4-ethoxyphenyl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 92907524
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
2-[1-(4-bromophenyl)-2-oxo-4-phenylazetidin-3-yl]isoindole-1,3-dione
CID 2855122
(2R)-1-benzyl-2-(3-methoxyphenyl)-3-(4-methylphenyl)-2H-quinazolin-4-one
CID 126183550
2-[1-(4-bromophenyl)-2-(4-fluorophenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 6617981
2-[(2R,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-1,3-dioxoisoindole-5-carboxylic acid
CID 102597639
2-[2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 23761774
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione (CID 6617999) is 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione is COc1cccc(C2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione?
The InChIKey is OYHOSWFJEZDWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4/c1-14-10-11-16(13-20(14)26)27-21(15-6-5-7-17(12-15)32-2)22(25(27)31)28-23(29)18-8-3-4-9-19(18)24(28)30/h3-13,21-22H,1-2H3.
What are the key properties of 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione?
2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione has a molecular weight of 430.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 6617999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).