1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione

C22H24FNO3 — CID 2047574

IUPAC1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc([C@@H](CCN2C(=O)CCC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNO3/c1-15(2)27-19-9-5-17(6-10-19)20(16-3-7-18(23)8-4-16)13-14-24-21(25)11-12-22(24)26/h3-10,15,20H,11-14H2,1-2H3/t20-/m0/s1
InChIKeyDUMVNXHERSMALB-FQEVSTJZSA-N
MW369.44 g/mol
LogP4.28
Rot. Bonds7

About 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione

1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione (PubChem CID 2047574) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione
PubChem CID2047574
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc([C@@H](CCN2C(=O)CCC2=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H24FNO3/c1-15(2)27-19-9-5-17(6-10-19)20(16-3-7-18(23)8-4-16)13-14-24-21(25)11-12-22(24)26/h3-10,15,20H,11-14H2,1-2H3/t20-/m0/s1
InChIKeyDUMVNXHERSMALB-FQEVSTJZSA-N
XLogP4.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]isoindole-1,3-dione
CID 2041078
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5122382
N'-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 18279573
[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7707419
[4-(dimethylamino)phenyl]methyl-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]azanium
CID 2045301
2-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanol
CID 61087614
1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one
CID 82073848
N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 3850088
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 41095359
[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-(furan-2-ylmethyl)azanium
CID 7707305
3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212276

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione (CID 2047574) is 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione is CC(C)Oc1ccc([C@@H](CCN2C(=O)CCC2=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione?
The InChIKey is DUMVNXHERSMALB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-15(2)27-19-9-5-17(6-10-19)20(16-3-7-18(23)8-4-16)13-14-24-21(25)11-12-22(24)26/h3-10,15,20H,11-14H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione?
1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione has a molecular weight of 369.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2047574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).