3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide

C17H12N4O3 — CID 110715446

IUPAC3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(C3NC(=O)NC3=O)c2)c1
InChIInChI=1S/C17H12N4O3/c18-9-10-3-1-5-12(7-10)15(22)19-13-6-2-4-11(8-13)14-16(23)21-17(24)20-14/h1-8,14H,(H,19,22)(H2,20,21,23,24)
InChIKeyIQXWJYJKXLZZAX-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.69
Rot. Bonds3

About 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide

3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide (PubChem CID 110715446) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
PubChem CID110715446
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Name3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(C3NC(=O)NC3=O)c2)c1
InChIInChI=1S/C17H12N4O3/c18-9-10-3-1-5-12(7-10)15(22)19-13-6-2-4-11(8-13)14-16(23)21-17(24)20-14/h1-8,14H,(H,19,22)(H2,20,21,23,24)
InChIKeyIQXWJYJKXLZZAX-UHFFFAOYSA-N
XLogP1.69
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide (CID 110715446) is 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cccc(C3NC(=O)NC3=O)c2)c1.
What is the InChIKey of 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide?
The InChIKey is IQXWJYJKXLZZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c18-9-10-3-1-5-12(7-10)15(22)19-13-6-2-4-11(8-13)14-16(23)21-17(24)20-14/h1-8,14H,(H,19,22)(H2,20,21,23,24).
What are the key properties of 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide?
3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide has a molecular weight of 320.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(2,5-dioxoimidazolidin-4-yl)phenyl]benzamide is sourced from PubChem (CID 110715446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).