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

C25H21ClN2O3 — CID 110567161

IUPAC3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N(C)Cc2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H21ClN2O3/c1-27(16-17-8-4-3-5-9-17)23-22(20-10-6-7-11-21(20)31-2)24(29)28(25(23)30)19-14-12-18(26)13-15-19/h3-15H,16H2,1-2H3
InChIKeyQHEROHIHTMXOAY-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.77
Rot. Bonds6

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

3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110567161) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110567161
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC Name3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(N(C)Cc2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C25H21ClN2O3/c1-27(16-17-8-4-3-5-9-17)23-22(20-10-6-7-11-21(20)31-2)24(29)28(25(23)30)19-14-12-18(26)13-15-19/h3-15H,16H2,1-2H3
InChIKeyQHEROHIHTMXOAY-UHFFFAOYSA-N
XLogP4.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.77
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-[benzyl(methyl)amino]-1-(4-ethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566951
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-phenylpyrrole-2,5-dione
CID 110561137
1-(3,4-difluorophenyl)-3-[2-hydroxyethyl(methyl)amino]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567740
3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110566383
3-[benzyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574257
3-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110565770
3-[benzyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110550452
3-chloro-4-(2-methoxyphenyl)-1-phenylpyrrole-2,5-dione
CID 110583869
3-[benzyl(methyl)amino]-1-(3-chloro-4-fluorophenyl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579784
3-[benzyl(methyl)amino]-1-(4-fluorophenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573373
1-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110567390
3-[benzyl(methyl)amino]-4-(3,4-dimethylphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110549718

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110567161) is 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1C1=C(N(C)Cc2ccccc2)C(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is QHEROHIHTMXOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-27(16-17-8-4-3-5-9-17)23-22(20-10-6-7-11-21(20)31-2)24(29)28(25(23)30)19-14-12-18(26)13-15-19/h3-15H,16H2,1-2H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 432.91 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(4-chlorophenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110567161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).