4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one

C20H20FNO4 — CID 123167280

IUPAC4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
SMILESC=C1C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C1c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-12-18(14-5-7-15(21)8-6-14)22(20(12)23)11-13-9-16(24-2)19(26-4)17(10-13)25-3/h5-10,18H,1,11H2,2-4H3
InChIKeyZQYBNESDINKJPH-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.49
Rot. Bonds6

About 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one

4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one (PubChem CID 123167280) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
PubChem CID123167280
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one
SMILESC=C1C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C1c1ccc(F)cc1
InChIInChI=1S/C20H20FNO4/c1-12-18(14-5-7-15(21)8-6-14)22(20(12)23)11-13-9-16(24-2)19(26-4)17(10-13)25-3/h5-10,18H,1,11H2,2-4H3
InChIKeyZQYBNESDINKJPH-UHFFFAOYSA-N
XLogP3.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 137456510
(4S)-3-methylidene-4-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
CID 131974451
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890835
(4Z)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrolidine-2,3-dione
CID 108601776
(4Z)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
CID 108642960
3-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenyl)methyl]-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135670045
7-fluoro-2-(pyridin-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4207714
2-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4990605
(4E)-5-(4-tert-butylphenyl)-4-[(5-fluoro-2-methoxyphenyl)-hydroxymethylidene]-1-[(4-fluorophenyl)methyl]pyrrolidine-2,3-dione
CID 108691679
1-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810764
(4Z)-1-[(4-fluorophenyl)methyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
CID 108583304
3-acetyl-1-[(3,5-dichlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 10294013

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one (CID 123167280) is 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one is C=C1C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?
The InChIKey is ZQYBNESDINKJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-12-18(14-5-7-15(21)8-6-14)22(20(12)23)11-13-9-16(24-2)19(26-4)17(10-13)25-3/h5-10,18H,1,11H2,2-4H3.
What are the key properties of 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one?
4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one has a molecular weight of 357.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-methylidene-1-[(3,4,5-trimethoxyphenyl)methyl]azetidin-2-one is sourced from PubChem (CID 123167280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).