1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione

C17H12ClNO2 — CID 15543976

IUPAC1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=CC(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C17H12ClNO2/c1-11-6-8-12(9-7-11)13-10-16(20)19(17(13)21)15-5-3-2-4-14(15)18/h2-10H,1H3
InChIKeyYVAAFZYSJZKUKY-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.61
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione

1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 15543976) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID15543976
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Name1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=CC(=O)N(c3ccccc3Cl)C2=O)cc1
InChIInChI=1S/C17H12ClNO2/c1-11-6-8-12(9-7-11)13-10-16(20)19(17(13)21)15-5-3-2-4-14(15)18/h2-10H,1H3
InChIKeyYVAAFZYSJZKUKY-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.61
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

N-(2-Chlorophenyl)benzamide
CID 13918
2-Chloro-N-methyl-N-phenylbenzamide
CID 587357
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111
Benzamide, N-(2-chlorophenyl)-4-(1,1-dimethylethyl)-
CID 667624
2-(2-Chlorophenyl)-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline-1,3-dione
CID 2325104
n,n'-Bis(2-chlorophenyl)benzene-1,4-dicarboxamide
CID 272219
N-(4-chlorophenyl)-4-methylbenzamide
CID 723112
N-(3-chlorophenyl)-4-methylbenzamide
CID 531828
1-(2-benzoyl-4-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 304835
3-Chloro-1-(3,4-dichloro-phenyl)-4-phenyl-pyrrole-2,5-dione
CID 71547136
3-Chloro-1-(3,4-dichloro-phenyl)-4-(4-trifluoromethyl-phenyl)-pyrrole-2,5-dione
CID 71547137
N-(2-chlorophenyl)-3-fluorobenzamide
CID 242883

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione (CID 15543976) is 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=CC(=O)N(c3ccccc3Cl)C2=O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is YVAAFZYSJZKUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-11-6-8-12(9-7-11)13-10-16(20)19(17(13)21)15-5-3-2-4-14(15)18/h2-10H,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione?
1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 297.74 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 15543976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).