4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide

C21H16N4O4 — CID 55833464

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C21H16N4O4/c26-18-10-11-19(27)25(18)16-6-2-14(3-7-16)20(28)24-15-4-8-17(9-5-15)29-21-22-12-1-13-23-21/h1-9,12-13H,10-11H2,(H,24,28)
InChIKeyOXJCOKSRFLYEGZ-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.17
Rot. Bonds5

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide (PubChem CID 55833464) has the molecular formula C21H16N4O4 and a molecular weight of 388.38 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
PubChem CID55833464
Molecular FormulaC21H16N4O4
Molecular Weight388.38 g/mol
Exact Mass388.12
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C21H16N4O4/c26-18-10-11-19(27)25(18)16-6-2-14(3-7-16)20(28)24-15-4-8-17(9-5-15)29-21-22-12-1-13-23-21/h1-9,12-13H,10-11H2,(H,24,28)
InChIKeyOXJCOKSRFLYEGZ-UHFFFAOYSA-N
XLogP3.17
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 7318599
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]phenyl]benzamide
CID 18552976
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55825890
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(4-methoxyphenyl)benzamide
CID 1354596
2,2-diphenyl-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834993
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 1120366
N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
N-(4-pyrimidin-2-yloxyphenyl)quinoxaline-2-carboxamide
CID 47051300
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18140140

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide (CID 55833464) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide is O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
The InChIKey is OXJCOKSRFLYEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4/c26-18-10-11-19(27)25(18)16-6-2-14(3-7-16)20(28)24-15-4-8-17(9-5-15)29-21-22-12-1-13-23-21/h1-9,12-13H,10-11H2,(H,24,28).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide has a molecular weight of 388.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrimidin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 55833464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).