3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione

C24H25FN2O3 — CID 110543204

IUPAC3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccc(F)cc3)C(=O)N(CCc3ccccc3)C2=O)CC(C)O1
InChIInChI=1S/C24H25FN2O3/c1-16-14-26(15-17(2)30-16)22-21(19-8-10-20(25)11-9-19)23(28)27(24(22)29)13-12-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3
InChIKeyROSAZRZAMDPNKE-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.26
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione

3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110543204) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110543204
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCC1CN(C2=C(c3ccc(F)cc3)C(=O)N(CCc3ccccc3)C2=O)CC(C)O1
InChIInChI=1S/C24H25FN2O3/c1-16-14-26(15-17(2)30-16)22-21(19-8-10-20(25)11-9-19)23(28)27(24(22)29)13-12-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3
InChIKeyROSAZRZAMDPNKE-UHFFFAOYSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-pentylpyrrole-2,5-dione
CID 110543640
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrole-2,5-dione
CID 110543020
3-(2,6-dimethylmorpholin-4-yl)-1-methyl-4-phenylpyrrole-2,5-dione
CID 110559456
3-(2,6-dimethylmorpholin-4-yl)-1-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541634
3-(2,6-dimethylmorpholin-4-yl)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544643
1-(4-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545015
1-[2-(4-chlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565347
1-butyl-3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)pyrrole-2,5-dione
CID 110569559
3-(2,6-dimethylmorpholin-4-yl)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110559861
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110545592
1-[(2-chlorophenyl)methyl]-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110558966
3-(2,6-dimethylmorpholin-4-yl)-4-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110573107

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110543204) is 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione is CC1CN(C2=C(c3ccc(F)cc3)C(=O)N(CCc3ccccc3)C2=O)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is ROSAZRZAMDPNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-16-14-26(15-17(2)30-16)22-21(19-8-10-20(25)11-9-19)23(28)27(24(22)29)13-12-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 408.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110543204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).