N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide

C24H19N3O3 — CID 53021368

IUPACN-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESCOc1cccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1
InChIInChI=1S/C24H19N3O3/c1-29-20-11-6-10-19(14-20)27-24(28)18-9-5-12-21(13-18)30-23-15-22(25-16-26-23)17-7-3-2-4-8-17/h2-16H,1H3,(H,27,28)
InChIKeyYMKAWOVAWHMVIA-UHFFFAOYSA-N
MW397.43 g/mol
LogP5.20
Rot. Bonds6

About N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide

N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide (PubChem CID 53021368) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
PubChem CID53021368
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESCOc1cccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1
InChIInChI=1S/C24H19N3O3/c1-29-20-11-6-10-19(14-20)27-24(28)18-9-5-12-21(13-18)30-23-15-22(25-16-26-23)17-7-3-2-4-8-17/h2-16H,1H3,(H,27,28)
InChIKeyYMKAWOVAWHMVIA-UHFFFAOYSA-N
XLogP5.20
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide
CID 53119921
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115112
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide (CID 53021368) is N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide is COc1cccc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The InChIKey is YMKAWOVAWHMVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-29-20-11-6-10-19(14-20)27-24(28)18-9-5-12-21(13-18)30-23-15-22(25-16-26-23)17-7-3-2-4-8-17/h2-16H,1H3,(H,27,28).
What are the key properties of N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide has a molecular weight of 397.43 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 53021368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).