3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide

C25H21N3O3 — CID 53002812

IUPAC3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
SMILESCOc1ccc(Oc2ncc(-c3cccc(C(=O)Nc4ccccc4C)c3)cn2)cc1
InChIInChI=1S/C25H21N3O3/c1-17-6-3-4-9-23(17)28-24(29)19-8-5-7-18(14-19)20-15-26-25(27-16-20)31-22-12-10-21(30-2)11-13-22/h3-16H,1-2H3,(H,28,29)
InChIKeyJWIREBIUFVNWCG-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.51
Rot. Bonds6

About 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide

3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide (PubChem CID 53002812) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
PubChem CID53002812
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
SMILESCOc1ccc(Oc2ncc(-c3cccc(C(=O)Nc4ccccc4C)c3)cn2)cc1
InChIInChI=1S/C25H21N3O3/c1-17-6-3-4-9-23(17)28-24(29)19-8-5-7-18(14-19)20-15-26-25(27-16-20)31-22-12-10-21(30-2)11-13-22/h3-16H,1-2H3,(H,28,29)
InChIKeyJWIREBIUFVNWCG-UHFFFAOYSA-N
XLogP5.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-(2-methoxyphenyl)benzamide
CID 53116926
N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388945
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116963

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide (CID 53002812) is 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide is COc1ccc(Oc2ncc(-c3cccc(C(=O)Nc4ccccc4C)c3)cn2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide?
The InChIKey is JWIREBIUFVNWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17-6-3-4-9-23(17)28-24(29)19-8-5-7-18(14-19)20-15-26-25(27-16-20)31-22-12-10-21(30-2)11-13-22/h3-16H,1-2H3,(H,28,29).
What are the key properties of 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide?
3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide has a molecular weight of 411.46 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 53002812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).