3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide

C26H23N3O2 — CID 53119921

IUPAC3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1
InChIInChI=1S/C26H23N3O2/c1-18(2)19-11-13-22(14-12-19)29-26(30)21-9-6-10-23(15-21)31-25-16-24(27-17-28-25)20-7-4-3-5-8-20/h3-18H,1-2H3,(H,29,30)
InChIKeyYPCSKPPXFWJOLJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP6.31
Rot. Bonds6

About 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide

3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 53119921) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide
PubChem CID53119921
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1
InChIInChI=1S/C26H23N3O2/c1-18(2)19-11-13-22(14-12-19)29-26(30)21-9-6-10-23(15-21)31-25-16-24(27-17-28-25)20-7-4-3-5-8-20/h3-18H,1-2H3,(H,29,30)
InChIKeyYPCSKPPXFWJOLJ-UHFFFAOYSA-N
XLogP6.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115112
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011541
3-iodo-N-(4-propan-2-ylphenyl)benzamide
CID 1154174
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021111

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide (CID 53119921) is 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1.
What is the InChIKey of 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is YPCSKPPXFWJOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-18(2)19-11-13-22(14-12-19)29-26(30)21-9-6-10-23(15-21)31-25-16-24(27-17-28-25)20-7-4-3-5-8-20/h3-18H,1-2H3,(H,29,30).
What are the key properties of 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide?
3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 53119921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).