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

C22H16N2O4 — CID 20502008

IUPAC1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione
SMILESCC(c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C22H16N2O4/c1-14(15-2-6-17(7-3-15)23-19(25)10-11-20(23)26)16-4-8-18(9-5-16)24-21(27)12-13-22(24)28/h2-14H,1H3
InChIKeyDMTAZTQXXLLFMF-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.70
Rot. Bonds4

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

1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione (PubChem CID 20502008) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione
PubChem CID20502008
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione
SMILESCC(c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C22H16N2O4/c1-14(15-2-6-17(7-3-15)23-19(25)10-11-20(23)26)16-4-8-18(9-5-16)24-21(27)12-13-22(24)28/h2-14H,1H3
InChIKeyDMTAZTQXXLLFMF-UHFFFAOYSA-N
XLogP2.70
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.70
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-[4-(dihydroxymethyl)phenyl]pyrrole-2,5-dione
CID 149391742
1-[4-[(2,5-dioxopyrrol-1-yl)-[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione
CID 170336263
1-(4-silylphenyl)pyrrole-2,5-dione
CID 151993924
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]-4-methylpentan-2-yl]phenyl]pyrrole-2,5-dione
CID 70559199
1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]-(4-phenylphenyl)methyl]phenyl]pyrrole-2,5-dione
CID 155460089
1-[4-(methylamino)phenyl]pyrrole-2,5-dione
CID 86170375
1-[4-(3-bromo-1,2-dihydroxypropyl)phenyl]pyrrole-2,5-dione
CID 171860969
1-[4-(2-methylidene-5-oxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 90336155
1-[4-[4-[1-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]butyl]phenoxy]phenyl]pyrrole-2,5-dione
CID 174939260
methane;1-phenylpyrrole-2,5-dione
CID 174935875
1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione;propane
CID 160652387
1-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyrrole-2,5-dione
CID 4124115

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione (CID 20502008) is 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione is CC(c1ccc(N2C(=O)C=CC2=O)cc1)c1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione?
The InChIKey is DMTAZTQXXLLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-14(15-2-6-17(7-3-15)23-19(25)10-11-20(23)26)16-4-8-18(9-5-16)24-21(27)12-13-22(24)28/h2-14H,1H3.
What are the key properties of 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione?
1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione has a molecular weight of 372.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethyl]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 20502008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).