1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

C14H6Cl2N2O4 — CID 170594221

IUPAC1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cc(Cl)c(N2C(=O)C=CC2=O)cc1Cl
InChIInChI=1S/C14H6Cl2N2O4/c15-7-6-10(18-13(21)3-4-14(18)22)8(16)5-9(7)17-11(19)1-2-12(17)20/h1-6H
InChIKeyXVLMOSJXCJXIDQ-UHFFFAOYSA-N
MW337.12 g/mol
LogP1.85
Rot. Bonds2

About 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione

1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione (PubChem CID 170594221) has the molecular formula C14H6Cl2N2O4 and a molecular weight of 337.12 g/mol. Its IUPAC name is 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
PubChem CID170594221
Molecular FormulaC14H6Cl2N2O4
Molecular Weight337.12 g/mol
Exact Mass335.97
IUPAC Name1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1cc(Cl)c(N2C(=O)C=CC2=O)cc1Cl
InChIInChI=1S/C14H6Cl2N2O4/c15-7-6-10(18-13(21)3-4-14(18)22)8(16)5-9(7)17-11(19)1-2-12(17)20/h1-6H
InChIKeyXVLMOSJXCJXIDQ-UHFFFAOYSA-N
XLogP1.85
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
1-(4-amino-3,5-dichlorophenyl)pyrrole-2,5-dione
CID 914425
1-(2,3,4,5,6-pentachlorophenyl)pyrrole-2,5-dione
CID 71399110
4-chloro-2-(2,5-dioxopyrrol-1-yl)benzoic acid
CID 16793118
1-(4-chloro-3-methylphenyl)pyrrole-2,5-dione
CID 112708489
1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione
CID 174836910
bis[2,6-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl] oxalate
CID 163236973
4-(2,4,5-trichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21071836
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 3729076
[2,4-dichloro-5-(1,3-dioxoisoindol-2-yl)phenyl]boronic acid
CID 168517976
1-(2-bromo-5-methylphenyl)pyrrole-2,5-dione
CID 82757766
2-chloro-4-(1,3-dioxoisoindol-2-yl)-5-iodobenzonitrile
CID 168519216

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione (CID 170594221) is 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1cc(Cl)c(N2C(=O)C=CC2=O)cc1Cl.
What is the InChIKey of 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
The InChIKey is XVLMOSJXCJXIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl2N2O4/c15-7-6-10(18-13(21)3-4-14(18)22)8(16)5-9(7)17-11(19)1-2-12(17)20/h1-6H.
What are the key properties of 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione?
1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione has a molecular weight of 337.12 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 170594221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).