3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione

C27H20N2O2 — CID 110561422

IUPAC3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
SMILESCN(C1=C(c2ccccc2)C(=O)N(c2cccc3ccccc23)C1=O)c1ccccc1
InChIInChI=1S/C27H20N2O2/c1-28(21-15-6-3-7-16-21)25-24(20-12-4-2-5-13-20)26(30)29(27(25)31)23-18-10-14-19-11-8-9-17-22(19)23/h2-18H,1H3
InChIKeyJFTFNUZDUZGILS-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.26
Rot. Bonds4

About 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione

3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione (PubChem CID 110561422) has the molecular formula C27H20N2O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
PubChem CID110561422
Molecular FormulaC27H20N2O2
Molecular Weight404.47 g/mol
Exact Mass404.15
IUPAC Name3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
SMILESCN(C1=C(c2ccccc2)C(=O)N(c2cccc3ccccc23)C1=O)c1ccccc1
InChIInChI=1S/C27H20N2O2/c1-28(21-15-6-3-7-16-21)25-24(20-12-4-2-5-13-20)26(30)29(27(25)31)23-18-10-14-19-11-8-9-17-22(19)23/h2-18H,1H3
InChIKeyJFTFNUZDUZGILS-UHFFFAOYSA-N
XLogP5.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.26
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-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110567349
3-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione
CID 110561417
1-(2-fluorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573548
1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110558315
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544717
3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110550412
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110547775
3-(N-methylanilino)-1-(2-methylphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542741

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione (CID 110561422) is 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione is CN(C1=C(c2ccccc2)C(=O)N(c2cccc3ccccc23)C1=O)c1ccccc1.
What is the InChIKey of 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione?
The InChIKey is JFTFNUZDUZGILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O2/c1-28(21-15-6-3-7-16-21)25-24(20-12-4-2-5-13-20)26(30)29(27(25)31)23-18-10-14-19-11-8-9-17-22(19)23/h2-18H,1H3.
What are the key properties of 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione?
3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione has a molecular weight of 404.47 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-1-naphthalen-1-yl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110561422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).