3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione

C27H24F2N2O2 — CID 110543180

IUPAC3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
SMILESCCN(Cc1ccccc1)C1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H24F2N2O2/c1-2-30(18-20-6-4-3-5-7-20)25-24(21-10-14-23(29)15-11-21)26(32)31(27(25)33)17-16-19-8-12-22(28)13-9-19/h3-15H,2,16-18H2,1H3
InChIKeyCPNNNVVHZRNKIQ-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.81
Rot. Bonds8

About 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione

3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione (PubChem CID 110543180) has the molecular formula C27H24F2N2O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
PubChem CID110543180
Molecular FormulaC27H24F2N2O2
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
SMILESCCN(Cc1ccccc1)C1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O
InChIInChI=1S/C27H24F2N2O2/c1-2-30(18-20-6-4-3-5-7-20)25-24(21-10-14-23(29)15-11-21)26(32)31(27(25)33)17-16-19-8-12-22(28)13-9-19/h3-15H,2,16-18H2,1H3
InChIKeyCPNNNVVHZRNKIQ-UHFFFAOYSA-N
XLogP4.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.81
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

3-[benzyl(ethyl)amino]-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572801
3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543211
3-[benzyl(ethyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-4-phenylpyrrole-2,5-dione
CID 110558856
3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110544202
1-(1,3-benzodioxol-5-ylmethyl)-3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543399
3-[benzyl(ethyl)amino]-1-ethyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572443
3-[benzyl(ethyl)amino]-1-(2,5-difluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545988
3-[benzyl(ethyl)amino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110560487
3-[4-(diethylamino)anilino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110585967
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110546190
3-[benzyl(ethyl)amino]-1-(3-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544567
3-[benzyl(ethyl)amino]-4-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569288

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione (CID 110543180) is 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione is CCN(Cc1ccccc1)C1=C(c2ccc(F)cc2)C(=O)N(CCc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione?
The InChIKey is CPNNNVVHZRNKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O2/c1-2-30(18-20-6-4-3-5-7-20)25-24(21-10-14-23(29)15-11-21)26(32)31(27(25)33)17-16-19-8-12-22(28)13-9-19/h3-15H,2,16-18H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione?
3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione has a molecular weight of 446.50 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 110543180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).