N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide

C25H21N3O2 — CID 46388811

IUPACN-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccccc4C)c3)n2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-10-12-19(13-11-17)24-26-15-14-23(28-24)30-21-8-5-7-20(16-21)25(29)27-22-9-4-3-6-18(22)2/h3-16H,1-2H3,(H,27,29)
InChIKeyXSPUHQYPQQDYRL-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.81
Rot. Bonds5

About N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide

N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 46388811) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID46388811
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccccc4C)c3)n2)cc1
InChIInChI=1S/C25H21N3O2/c1-17-10-12-19(13-11-17)24-26-15-14-23(28-24)30-21-8-5-7-20(16-21)25(29)27-22-9-4-3-6-18(22)2/h3-16H,1-2H3,(H,27,29)
InChIKeyXSPUHQYPQQDYRL-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-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
3-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92883131
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
N-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(4-methylphenyl)-3-pyrido[2,3-b]pyrazin-6-yloxybenzamide
CID 133301621
3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 46388743
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92882439
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
3-pyridin-2-yloxy-N-quinolin-8-ylbenzamide
CID 71809896

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide (CID 46388811) is N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide is Cc1ccc(-c2nccc(Oc3cccc(C(=O)Nc4ccccc4C)c3)n2)cc1.
What is the InChIKey of N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is XSPUHQYPQQDYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-17-10-12-19(13-11-17)24-26-15-14-23(28-24)30-21-8-5-7-20(16-21)25(29)27-22-9-4-3-6-18(22)2/h3-16H,1-2H3,(H,27,29).
What are the key properties of N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide?
N-(2-methylphenyl)-3-[2-(4-methylphenyl)pyrimidin-4-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)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 46388811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).