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

C25H21N3O3 — CID 53116673

IUPAC4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cn2)cc1
InChIInChI=1S/C25H21N3O3/c1-17-3-9-21(10-4-17)28-24(29)19-7-5-18(6-8-19)20-15-26-25(27-16-20)31-23-13-11-22(30-2)12-14-23/h3-16H,1-2H3,(H,28,29)
InChIKeyIETGSXHIFDRGLB-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.51
Rot. Bonds6

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

4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide (PubChem CID 53116673) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
PubChem CID53116673
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cn2)cc1
InChIInChI=1S/C25H21N3O3/c1-17-3-9-21(10-4-17)28-24(29)19-7-5-18(6-8-19)20-15-26-25(27-16-20)31-23-13-11-22(30-2)12-14-23/h3-16H,1-2H3,(H,28,29)
InChIKeyIETGSXHIFDRGLB-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

N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
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
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388896
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide
CID 53116686
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-pyrimidin-2-yloxyphenyl)benzamide
CID 55825890
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116689

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide (CID 53116673) is 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide is COc1ccc(Oc2ncc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cn2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide?
The InChIKey is IETGSXHIFDRGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17-3-9-21(10-4-17)28-24(29)19-7-5-18(6-8-19)20-15-26-25(27-16-20)31-23-13-11-22(30-2)12-14-23/h3-16H,1-2H3,(H,28,29).
What are the key properties of 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide?
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-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 4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 53116673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).