N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide

C25H21N3O2 — CID 53021388

IUPACN-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESCc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1
InChIInChI=1S/C25H21N3O2/c1-18-10-12-19(13-11-18)16-26-25(29)21-8-5-9-22(14-21)30-24-15-23(27-17-28-24)20-6-3-2-4-7-20/h2-15,17H,16H2,1H3,(H,26,29)
InChIKeyLLPQESXCGGLGEG-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.17
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide

N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide (PubChem CID 53021388) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
PubChem CID53021388
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESCc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1
InChIInChI=1S/C25H21N3O2/c1-18-10-12-19(13-11-18)16-26-25(29)21-8-5-9-22(14-21)30-24-15-23(27-17-28-24)20-6-3-2-4-7-20/h2-15,17H,16H2,1H3,(H,26,29)
InChIKeyLLPQESXCGGLGEG-UHFFFAOYSA-N
XLogP5.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119908
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53021354
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
CID 53021217
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011541
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide (CID 53021388) is N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide is Cc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The InChIKey is LLPQESXCGGLGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-18-10-12-19(13-11-18)16-26-25(29)21-8-5-9-22(14-21)30-24-15-23(27-17-28-24)20-6-3-2-4-7-20/h2-15,17H,16H2,1H3,(H,26,29).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide has a molecular weight of 395.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 53021388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).