3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione

C18H15ClN2O2 — CID 110569696

IUPAC3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C18H15ClN2O2/c1-20(14-6-4-3-5-7-14)16-15(17(22)21(2)18(16)23)12-8-10-13(19)11-9-12/h3-11H,1-2H3
InChIKeyXCXNYLAFWAAPDM-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.19
Rot. Bonds3

About 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione

3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione (PubChem CID 110569696) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione
PubChem CID110569696
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione
SMILESCN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)c2ccccc2)C1=O
InChIInChI=1S/C18H15ClN2O2/c1-20(14-6-4-3-5-7-14)16-15(17(22)21(2)18(16)23)12-8-10-13(19)11-9-12/h3-11H,1-2H3
InChIKeyXCXNYLAFWAAPDM-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.19
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

1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960
3-(4-chlorophenyl)-4-(N-methylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571328
3-(4-chlorophenyl)-1-hexyl-4-(N-methylanilino)pyrrole-2,5-dione
CID 110570082
1-(4-chlorophenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110545221
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110576010
1-(5-chloro-2-methoxyphenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574357
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
1-ethyl-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572451
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-(2-fluorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573548
3-(N-methylanilino)-4-(4-methylphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574208
3-(N-methylanilino)-1-octyl-4-phenylpyrrole-2,5-dione
CID 110560237

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione (CID 110569696) is 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione is CN1C(=O)C(c2ccc(Cl)cc2)=C(N(C)c2ccccc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione?
The InChIKey is XCXNYLAFWAAPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-20(14-6-4-3-5-7-14)16-15(17(22)21(2)18(16)23)12-8-10-13(19)11-9-12/h3-11H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione?
3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione has a molecular weight of 326.78 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-4-(N-methylanilino)pyrrole-2,5-dione is sourced from PubChem (CID 110569696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).