1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione

C17H11ClN2O4 — CID 785379

IUPAC1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)C=C(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C17H11ClN2O4/c1-10-14(18)6-3-7-15(10)19-16(21)9-13(17(19)22)11-4-2-5-12(8-11)20(23)24/h2-9H,1H3
InChIKeyGMZFNBPDEMUNQE-UHFFFAOYSA-N
MW342.74 g/mol
LogP3.51
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione

1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione (PubChem CID 785379) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione
PubChem CID785379
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione
SMILESCc1c(Cl)cccc1N1C(=O)C=C(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C17H11ClN2O4/c1-10-14(18)6-3-7-15(10)19-16(21)9-13(17(19)22)11-4-2-5-12(8-11)20(23)24/h2-9H,1H3
InChIKeyGMZFNBPDEMUNQE-UHFFFAOYSA-N
XLogP3.51
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-(2-methyl-5-nitrophenyl)pyrrole-2,5-dione
CID 5215502
1-(2-chlorophenyl)-3-(4-methylphenyl)pyrrole-2,5-dione
CID 15543976
(3aS,6aS)-3-acetyl-5-(3-chloro-2-methylphenyl)-1-(3-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 124530356
3-methyl-1-(2-methyl-4-nitrophenyl)pyrrole-2,5-dione
CID 54940825
(4E)-1-(3-chloro-2-methylphenyl)-4-[hydroxy-(3-nitrophenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108589534
1-(3-chloro-2-methylphenyl)-5-(4-nitrophenyl)-1,2,4-triazole
CID 784675
1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
(1R,2S,6R,7R)-4-(3-chloro-2-methylphenyl)-1,7-diethyl-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 98118939
2-(3-nitrophenyl)naphthalene-1,4-dione
CID 125480138
5,6-dichloro-2-(3-nitrophenyl)isoindole-1,3-dione
CID 3794451
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione (CID 785379) is 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione is Cc1c(Cl)cccc1N1C(=O)C=C(c2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione?
The InChIKey is GMZFNBPDEMUNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c1-10-14(18)6-3-7-15(10)19-16(21)9-13(17(19)22)11-4-2-5-12(8-11)20(23)24/h2-9H,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione?
1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione has a molecular weight of 342.74 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(3-nitrophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 785379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).