5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

C33H24F2N2O6 — CID 18961412

IUPAC5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)c(F)c4)cc3F)cc2C1=O
InChIInChI=1S/C33H24F2N2O6/c1-33(2,17-5-11-27(25(34)13-17)42-19-7-9-21-23(15-19)31(40)36(3)29(21)38)18-6-12-28(26(35)14-18)43-20-8-10-22-24(16-20)32(41)37(4)30(22)39/h5-16H,1-4H3
InChIKeyYGHXLBFGYALABY-UHFFFAOYSA-N
MW582.56 g/mol
LogP6.33
Rot. Bonds6

About 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione

5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (PubChem CID 18961412) has the molecular formula C33H24F2N2O6 and a molecular weight of 582.56 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
PubChem CID18961412
Molecular FormulaC33H24F2N2O6
Molecular Weight582.56 g/mol
Exact Mass582.16
IUPAC Name5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)c(F)c4)cc3F)cc2C1=O
InChIInChI=1S/C33H24F2N2O6/c1-33(2,17-5-11-27(25(34)13-17)42-19-7-9-21-23(15-19)31(40)36(3)29(21)38)18-6-12-28(26(35)14-18)43-20-8-10-22-24(16-20)32(41)37(4)30(22)39/h5-16H,1-4H3
InChIKeyYGHXLBFGYALABY-UHFFFAOYSA-N
XLogP6.33
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.56
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione 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 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione (CID 18961412) is 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)c(F)c4)cc3F)cc2C1=O.
What is the InChIKey of 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?
The InChIKey is YGHXLBFGYALABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F2N2O6/c1-33(2,17-5-11-27(25(34)13-17)42-19-7-9-21-23(15-19)31(40)36(3)29(21)38)18-6-12-28(26(35)14-18)43-20-8-10-22-24(16-20)32(41)37(4)30(22)39/h5-16H,1-4H3.
What are the key properties of 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione?
5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione has a molecular weight of 582.56 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-[3-fluoro-4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 18961412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).