N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

C25H20ClN3O3 — CID 53115095

IUPACN-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)ncn1
InChIInChI=1S/C25H20ClN3O3/c1-16-7-12-19(13-20(16)26)29-25(30)18-10-8-17(9-11-18)21-14-24(28-15-27-21)32-23-6-4-3-5-22(23)31-2/h3-15H,1-2H3,(H,29,30)
InChIKeyTXSQAPPNCVTVFS-UHFFFAOYSA-N
MW445.91 g/mol
LogP6.16
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (PubChem CID 53115095) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
PubChem CID53115095
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
SMILESCOc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)ncn1
InChIInChI=1S/C25H20ClN3O3/c1-16-7-12-19(13-20(16)26)29-25(30)18-10-8-17(9-11-18)21-14-24(28-15-27-21)32-23-6-4-3-5-22(23)31-2/h3-15H,1-2H3,(H,29,30)
InChIKeyTXSQAPPNCVTVFS-UHFFFAOYSA-N
XLogP6.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 56.16
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-(4-ethylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115093
N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 95053242
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899
N-(3-chloro-4-methylphenyl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327113
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386407
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-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide (CID 53115095) is N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is COc1ccccc1Oc1cc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)ncn1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
The InChIKey is TXSQAPPNCVTVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c1-16-7-12-19(13-20(16)26)29-25(30)18-10-8-17(9-11-18)21-14-24(28-15-27-21)32-23-6-4-3-5-22(23)31-2/h3-15H,1-2H3,(H,29,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide?
N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide has a molecular weight of 445.91 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 53115095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).