3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione

C13H12ClNO2 — CID 110584858

IUPAC3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C13H12ClNO2/c1-7-4-5-9(8(2)6-7)10-11(14)13(17)15(3)12(10)16/h4-6H,1-3H3
InChIKeyRHNBIEJCIYNMHR-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.25
Rot. Bonds1

About 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione

3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione (PubChem CID 110584858) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione
PubChem CID110584858
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione
SMILESCc1ccc(C2=C(Cl)C(=O)N(C)C2=O)c(C)c1
InChIInChI=1S/C13H12ClNO2/c1-7-4-5-9(8(2)6-7)10-11(14)13(17)15(3)12(10)16/h4-6H,1-3H3
InChIKeyRHNBIEJCIYNMHR-UHFFFAOYSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-chloro-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584853
3-chloro-4-(2,4-dimethylphenyl)-1-[2-(1-methylindol-3-yl)ethyl]pyrrole-2,5-dione
CID 110584827
3-chloro-1-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110584888
3-(2,4-dimethylphenyl)-1-methyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110578558
5-[2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 90180947
2-[4-(2,4-dimethylphenyl)-3-methylphenyl]-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone
CID 58903483
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110582624
1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110582709
3-(4-chlorophenyl)sulfanyl-4-(2,4-dimethylphenyl)-1-ethylpyrrole-2,5-dione
CID 110578550
3-(2,4-dimethylphenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110580127
1-(3-chloro-4-methylphenyl)-3-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110580203

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione (CID 110584858) is 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione is Cc1ccc(C2=C(Cl)C(=O)N(C)C2=O)c(C)c1.
What is the InChIKey of 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione?
The InChIKey is RHNBIEJCIYNMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-7-4-5-9(8(2)6-7)10-11(14)13(17)15(3)12(10)16/h4-6H,1-3H3.
What are the key properties of 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione?
3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione has a molecular weight of 249.70 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dimethylphenyl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 110584858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).