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

C24H19ClN2O2 — CID 110561137

IUPAC3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
SMILESCN(Cc1ccccc1)C1=C(c2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H19ClN2O2/c1-26(16-17-8-4-2-5-9-17)22-21(18-10-6-3-7-11-18)23(28)27(24(22)29)20-14-12-19(25)13-15-20/h2-15H,16H2,1H3
InChIKeyYSQUXMRYSGMLOA-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.76
Rot. Bonds5

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

3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110561137) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
PubChem CID110561137
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
SMILESCN(Cc1ccccc1)C1=C(c2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H19ClN2O2/c1-26(16-17-8-4-2-5-9-17)22-21(18-10-6-3-7-11-18)23(28)27(24(22)29)20-14-12-19(25)13-15-20/h2-15H,16H2,1H3
InChIKeyYSQUXMRYSGMLOA-UHFFFAOYSA-N
XLogP4.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.76
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]-1-(3-chloro-4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561649
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567161
3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573373
3-[benzyl(methyl)amino]-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione
CID 110561385
3-[benzyl(ethyl)amino]-4-(4-chlorophenyl)-1-phenylpyrrole-2,5-dione
CID 110570813
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]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpyrrole-2,5-dione
CID 110561757
3-[benzyl(methyl)amino]-1-(2,5-difluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110562123
3-[benzyl(methyl)amino]-1-[4-(diethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543104
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-propylpyrrole-2,5-dione
CID 110569609
3-[benzyl(methyl)amino]-1-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110540875

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione (CID 110561137) is 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione is CN(Cc1ccccc1)C1=C(c2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is YSQUXMRYSGMLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c1-26(16-17-8-4-2-5-9-17)22-21(18-10-6-3-7-11-18)23(28)27(24(22)29)20-14-12-19(25)13-15-20/h2-15H,16H2,1H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione?
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 402.88 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110561137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).