N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide

C25H21N3O2 — CID 46388960

IUPACN-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-3-7-19(8-4-17)21-15-26-25(27-16-21)30-23-13-9-20(10-14-23)24(29)28-22-11-5-18(2)6-12-22/h3-16H,1-2H3,(H,28,29)
InChIKeyWSHPSURSPBSAAD-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.81
Rot. Bonds5

About N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide

N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide (PubChem CID 46388960) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
PubChem CID46388960
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-3-7-19(8-4-17)21-15-26-25(27-16-21)30-23-13-9-20(10-14-23)24(29)28-22-11-5-18(2)6-12-22/h3-16H,1-2H3,(H,28,29)
InChIKeyWSHPSURSPBSAAD-UHFFFAOYSA-N
XLogP5.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
CID 5065684
N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388945
N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388896
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
CID 122301767

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The IUPAC name of N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide (CID 46388960) is N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The canonical SMILES for N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide is Cc1ccc(NC(=O)c2ccc(Oc3ncc(-c4ccc(C)cc4)cn3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The InChIKey is WSHPSURSPBSAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-3-7-19(8-4-17)21-15-26-25(27-16-21)30-23-13-9-20(10-14-23)24(29)28-22-11-5-18(2)6-12-22/h3-16H,1-2H3,(H,28,29).
What are the key properties of N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide?
N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide has a molecular weight of 395.46 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide is sourced from PubChem (CID 46388960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).