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

CID 11942
CID 11942
CID 83648
CID 83648
CID 18787
CID 18787
CID 80893
CID 80893
CID 15399
CID 15399
CID 20527
CID 20527
CID 19989
CID 19989
CID 243251
CID 243251
CID 42797
CID 42797
CID 94990
CID 94990
CID 522624
CID 522624
CID 699498
CID 699498

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).