N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide

C20H16N2O3 — CID 140501091

IUPACN-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C20H16N2O3/c1-14(23)21-17-8-4-15(5-9-17)2-3-16-6-10-18(11-7-16)22-19(24)12-13-20(22)25/h2-13H,1H3,(H,21,23)
InChIKeyJDKGIOKAXPHGGD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.24
Rot. Bonds4

About N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide

N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide (PubChem CID 140501091) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide
PubChem CID140501091
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C20H16N2O3/c1-14(23)21-17-8-4-15(5-9-17)2-3-16-6-10-18(11-7-16)22-19(24)12-13-20(22)25/h2-13H,1H3,(H,21,23)
InChIKeyJDKGIOKAXPHGGD-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanamide
CID 69325577
5-acetamido-2-[(E)-2-[4-(2,5-dioxopyrrol-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 6449851
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
1-[4-(methylamino)phenyl]pyrrole-2,5-dione
CID 86170375
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
disodium bis(5-acetamido-2-[2-[4-(2,5-dioxopyrrol-1-yl)-2-sulfophenyl]ethenyl]benzenesulfonate)
CID 171370511
(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
CID 23469627
[4-(2,5-dioxopyrrol-1-yl)phenyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 146213784
N-[4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 34886353
N-[4-[9-(4-acetamidophenyl)-5,6,12,13-tetracyano-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl]phenyl]acetamide
CID 10674257
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide (CID 140501091) is N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(C=Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1.
What is the InChIKey of N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide?
The InChIKey is JDKGIOKAXPHGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-14(23)21-17-8-4-15(5-9-17)2-3-16-6-10-18(11-7-16)22-19(24)12-13-20(22)25/h2-13H,1H3,(H,21,23).
What are the key properties of N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide?
N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 140501091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).