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

C26H23FN2O2 — CID 110543211

IUPAC3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCN(Cc1ccccc1)C1=C(c2ccc(F)cc2)C(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C26H23FN2O2/c1-28(18-20-10-6-3-7-11-20)24-23(21-12-14-22(27)15-13-21)25(30)29(26(24)31)17-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3
InChIKeySRSHBRDLYRLPDU-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.28
Rot. Bonds7

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

3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione (PubChem CID 110543211) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
PubChem CID110543211
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
SMILESCN(Cc1ccccc1)C1=C(c2ccc(F)cc2)C(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C26H23FN2O2/c1-28(18-20-10-6-3-7-11-20)24-23(21-12-14-22(27)15-13-21)25(30)29(26(24)31)17-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3
InChIKeySRSHBRDLYRLPDU-UHFFFAOYSA-N
XLogP4.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
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

3-[benzyl(ethyl)amino]-4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110543180
3-[benzyl(methyl)amino]-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574907
3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110543505
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione
CID 110569609
3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573373
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
CID 110569241
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110569648
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110570002
3-[benzyl(methyl)amino]-1-(2,5-difluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110562123
N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
CID 110562626
3-[benzyl(methyl)amino]-1-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543104
3-[benzyl(methyl)amino]-4-(4-methylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110572767

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione (CID 110543211) is 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione is CN(Cc1ccccc1)C1=C(c2ccc(F)cc2)C(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
The InChIKey is SRSHBRDLYRLPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-28(18-20-10-6-3-7-11-20)24-23(21-12-14-22(27)15-13-21)25(30)29(26(24)31)17-16-19-8-4-2-5-9-19/h2-15H,16-18H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione?
3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione has a molecular weight of 414.48 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 3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110543211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).