N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide

C18H15N3O2 — CID 1472910

IUPACN-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(Oc3ncccn3)cc2)cc1
InChIInChI=1S/C18H15N3O2/c1-13-3-7-15(8-4-13)21-17(22)14-5-9-16(10-6-14)23-18-19-11-2-12-20-18/h2-12H,1H3,(H,21,22)
InChIKeyHIHAEGGHKAIKMJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.83
Rot. Bonds4

About N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide

N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide (PubChem CID 1472910) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide
PubChem CID1472910
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(Oc3ncccn3)cc2)cc1
InChIInChI=1S/C18H15N3O2/c1-13-3-7-15(8-4-13)21-17(22)14-5-9-16(10-6-14)23-18-19-11-2-12-20-18/h2-12H,1H3,(H,21,22)
InChIKeyHIHAEGGHKAIKMJ-UHFFFAOYSA-N
XLogP3.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide (CID 1472910) is N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide is Cc1ccc(NC(=O)c2ccc(Oc3ncccn3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide?
The InChIKey is HIHAEGGHKAIKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-13-3-7-15(8-4-13)21-17(22)14-5-9-16(10-6-14)23-18-19-11-2-12-20-18/h2-12H,1H3,(H,21,22).
What are the key properties of N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide?
N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide has a molecular weight of 305.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 1472910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).