2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione

C26H24FNO3 — CID 2041078

IUPAC2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
SMILESCC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H24FNO3/c1-17(2)31-21-13-9-19(10-14-21)22(18-7-11-20(27)12-8-18)15-16-28-25(29)23-5-3-4-6-24(23)26(28)30/h3-14,17,22H,15-16H2,1-2H3/t22-/m1/s1
InChIKeyMKBOUVHFYGRONB-JOCHJYFZSA-N
MW417.48 g/mol
LogP5.43
Rot. Bonds7

About 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione

2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione (PubChem CID 2041078) has the molecular formula C26H24FNO3 and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
PubChem CID2041078
Molecular FormulaC26H24FNO3
Molecular Weight417.48 g/mol
Exact Mass417.17
IUPAC Name2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
SMILESCC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H24FNO3/c1-17(2)31-21-13-9-19(10-14-21)22(18-7-11-20(27)12-8-18)15-16-28-25(29)23-5-3-4-6-24(23)26(28)30/h3-14,17,22H,15-16H2,1-2H3/t22-/m1/s1
InChIKeyMKBOUVHFYGRONB-JOCHJYFZSA-N
XLogP5.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-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

Related Compounds

1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione
CID 2047574
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 7332926
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799
3-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)-phenylmethyl]propanamide
CID 55583655
(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoate
CID 7332925
[(1R)-1-(4-fluorophenyl)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763359
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
ethyl 4-[3-(1,3-dioxoisoindol-2-yl)-1-phenylpropoxy]benzoate
CID 142708152
4-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 41014156
[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7707419
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione (CID 2041078) is 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione is CC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione?
The InChIKey is MKBOUVHFYGRONB-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24FNO3/c1-17(2)31-21-13-9-19(10-14-21)22(18-7-11-20(27)12-8-18)15-16-28-25(29)23-5-3-4-6-24(23)26(28)30/h3-14,17,22H,15-16H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione?
2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione has a molecular weight of 417.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 2041078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).