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

C25H20Cl2N2O2 — CID 110569241

IUPAC3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
SMILESCN(Cc1ccccc1)C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H20Cl2N2O2/c1-28(15-17-5-3-2-4-6-17)23-22(19-9-13-21(27)14-10-19)24(30)29(25(23)31)16-18-7-11-20(26)12-8-18/h2-14H,15-16H2,1H3
InChIKeyXAKZWJDZVIRGSS-UHFFFAOYSA-N
MW451.35 g/mol
LogP5.41
Rot. Bonds6

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

3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione (PubChem CID 110569241) has the molecular formula C25H20Cl2N2O2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
PubChem CID110569241
Molecular FormulaC25H20Cl2N2O2
Molecular Weight451.35 g/mol
Exact Mass450.09
IUPAC Name3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
SMILESCN(Cc1ccccc1)C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H20Cl2N2O2/c1-28(15-17-5-3-2-4-6-17)23-22(19-9-13-21(27)14-10-19)24(30)29(25(23)31)16-18-7-11-20(26)12-8-18/h2-14H,15-16H2,1H3
InChIKeyXAKZWJDZVIRGSS-UHFFFAOYSA-N
XLogP5.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 55.41
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(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]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione
CID 110569609
N-[4-[1-benzyl-4-[benzyl(methyl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562529
3-[benzyl(ethyl)amino]-4-(4-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569288
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110569337
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
CID 110561137
3-[benzyl(methyl)amino]-1-[(3,4-dimethoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110560286
3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110543211
3-[benzyl(methyl)amino]-4-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110543505
3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110569436
3-[benzyl(methyl)amino]-4-(3,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110548902

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione (CID 110569241) is 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione is CN(Cc1ccccc1)C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione?
The InChIKey is XAKZWJDZVIRGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O2/c1-28(15-17-5-3-2-4-6-17)23-22(19-9-13-21(27)14-10-19)24(30)29(25(23)31)16-18-7-11-20(26)12-8-18/h2-14H,15-16H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione?
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione has a molecular weight of 451.35 g/mol, XLogP of 5.41, 6 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-chlorophenyl)-1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110569241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).