N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

C26H23N3O3 — CID 53115093

IUPACN-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3cc(Oc4ccccc4OC)ncn3)cc2)cc1
InChIInChI=1S/C26H23N3O3/c1-3-18-8-14-21(15-9-18)29-26(30)20-12-10-19(11-13-20)22-16-25(28-17-27-22)32-24-7-5-4-6-23(24)31-2/h4-17H,3H2,1-2H3,(H,29,30)
InChIKeyXORHKUQKBDXFAB-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.76
Rot. Bonds7

About N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53115093) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53115093
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3cc(Oc4ccccc4OC)ncn3)cc2)cc1
InChIInChI=1S/C26H23N3O3/c1-3-18-8-14-21(15-9-18)29-26(30)20-12-10-19(11-13-20)22-16-25(28-17-27-22)32-24-7-5-4-6-23(24)31-2/h4-17H,3H2,1-2H3,(H,29,30)
InChIKeyXORHKUQKBDXFAB-UHFFFAOYSA-N
XLogP5.76
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021111
N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115095
N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 95053242
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086936
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
N-(4-ethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158771
N-(4-ethylphenyl)benzamide
CID 774063
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53115093) is N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is CCc1ccc(NC(=O)c2ccc(-c3cc(Oc4ccccc4OC)ncn3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is XORHKUQKBDXFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-3-18-8-14-21(15-9-18)29-26(30)20-12-10-19(11-13-20)22-16-25(28-17-27-22)32-24-7-5-4-6-23(24)31-2/h4-17H,3H2,1-2H3,(H,29,30).
What are the key properties of N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53115093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).