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

C25H21N3O2 — CID 46388945

IUPACN-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccccc4C)cc3)nc2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-7-9-19(10-8-17)21-15-26-25(27-16-21)30-22-13-11-20(12-14-22)24(29)28-23-6-4-3-5-18(23)2/h3-16H,1-2H3,(H,28,29)
InChIKeyLUNAMWZARQYURJ-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.81
Rot. Bonds5

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

N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide (PubChem CID 46388945) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
PubChem CID46388945
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccccc4C)cc3)nc2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-7-9-19(10-8-17)21-15-26-25(27-16-21)30-22-13-11-20(12-14-22)24(29)28-23-6-4-3-5-18(23)2/h3-16H,1-2H3,(H,28,29)
InChIKeyLUNAMWZARQYURJ-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

N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
CID 53002812
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
CID 5065684
N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 92883150
N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388896
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The IUPAC name of N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide (CID 46388945) is N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The canonical SMILES for N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide is Cc1ccc(-c2cnc(Oc3ccc(C(=O)Nc4ccccc4C)cc3)nc2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The InChIKey is LUNAMWZARQYURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-7-9-19(10-8-17)21-15-26-25(27-16-21)30-22-13-11-20(12-14-22)24(29)28-23-6-4-3-5-18(23)2/h3-16H,1-2H3,(H,28,29).
What are the key properties of N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide?
N-(2-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-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide is sourced from PubChem (CID 46388945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).