N-benzoyl-N-pyrimidin-4-ylbenzamide

C18H13N3O2 — CID 118727405

IUPACN-benzoyl-N-pyrimidin-4-ylbenzamide
SMILESO=C(c1ccccc1)N(C(=O)c1ccccc1)c1ccncn1
InChIInChI=1S/C18H13N3O2/c22-17(14-7-3-1-4-8-14)21(16-11-12-19-13-20-16)18(23)15-9-5-2-6-10-15/h1-13H
InChIKeyQFYDIYAWBVQTBL-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.96
Rot. Bonds3

About N-benzoyl-N-pyrimidin-4-ylbenzamide

N-benzoyl-N-pyrimidin-4-ylbenzamide (PubChem CID 118727405) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-benzoyl-N-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound NameN-benzoyl-N-pyrimidin-4-ylbenzamide
PubChem CID118727405
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-benzoyl-N-pyrimidin-4-ylbenzamide
SMILESO=C(c1ccccc1)N(C(=O)c1ccccc1)c1ccncn1
InChIInChI=1S/C18H13N3O2/c22-17(14-7-3-1-4-8-14)21(16-11-12-19-13-20-16)18(23)15-9-5-2-6-10-15/h1-13H
InChIKeyQFYDIYAWBVQTBL-UHFFFAOYSA-N
XLogP2.96
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-N-pyrimidin-4-ylbenzamide?
The IUPAC name of N-benzoyl-N-pyrimidin-4-ylbenzamide (CID 118727405) is N-benzoyl-N-pyrimidin-4-ylbenzamide.
What is the SMILES notation for N-benzoyl-N-pyrimidin-4-ylbenzamide?
The canonical SMILES for N-benzoyl-N-pyrimidin-4-ylbenzamide is O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ccncn1.
What is the InChIKey of N-benzoyl-N-pyrimidin-4-ylbenzamide?
The InChIKey is QFYDIYAWBVQTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-17(14-7-3-1-4-8-14)21(16-11-12-19-13-20-16)18(23)15-9-5-2-6-10-15/h1-13H.
What are the key properties of N-benzoyl-N-pyrimidin-4-ylbenzamide?
N-benzoyl-N-pyrimidin-4-ylbenzamide has a molecular weight of 303.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-N-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 118727405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).