(4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C20H20FNO5 — CID 131974325

IUPAC(4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESC=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)c(F)c1
InChIInChI=1S/C20H20FNO5/c1-11-18(12-6-7-15(24-2)14(21)8-12)22(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-10,18H,1H2,2-5H3/t18-/m1/s1
InChIKeyAJPHPZHCIQGEMS-GOSISDBHSA-N
MW373.38 g/mol
LogP3.50
Rot. Bonds6

About (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 131974325) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID131974325
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name(4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESC=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)c(F)c1
InChIInChI=1S/C20H20FNO5/c1-11-18(12-6-7-15(24-2)14(21)8-12)22(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-10,18H,1H2,2-5H3/t18-/m1/s1
InChIKeyAJPHPZHCIQGEMS-GOSISDBHSA-N
XLogP3.50
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 131974325) is (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is C=C1C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)c(F)c1.
What is the InChIKey of (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is AJPHPZHCIQGEMS-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20FNO5/c1-11-18(12-6-7-15(24-2)14(21)8-12)22(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-10,18H,1H2,2-5H3/t18-/m1/s1.
What are the key properties of (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 373.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-fluoro-4-methoxyphenyl)-3-methylidene-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 131974325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).