2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide

C21H20ClN3O3 — CID 95922480

IUPAC2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1nc(-c2cccc(Cl)c2)nc(C)c1C
InChIInChI=1S/C21H20ClN3O3/c1-13-14(2)23-20(15-7-6-8-16(22)11-15)25-21(13)28-12-19(26)24-17-9-4-5-10-18(17)27-3/h4-11H,12H2,1-3H3,(H,24,26)
InChIKeyFTDZFHXWMPOTHE-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.44
Rot. Bonds6

About 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide

2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide (PubChem CID 95922480) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
PubChem CID95922480
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)COc1nc(-c2cccc(Cl)c2)nc(C)c1C
InChIInChI=1S/C21H20ClN3O3/c1-13-14(2)23-20(15-7-6-8-16(22)11-15)25-21(13)28-12-19(26)24-17-9-4-5-10-18(17)27-3/h4-11H,12H2,1-3H3,(H,24,26)
InChIKeyFTDZFHXWMPOTHE-UHFFFAOYSA-N
XLogP4.44
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate
CID 95922488
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 95922351
2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922483
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 50754145
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666433
2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
CID 95923032
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922519
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 2431077
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide (CID 95922480) is 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)COc1nc(-c2cccc(Cl)c2)nc(C)c1C.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The InChIKey is FTDZFHXWMPOTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-14(2)23-20(15-7-6-8-16(22)11-15)25-21(13)28-12-19(26)24-17-9-4-5-10-18(17)27-3/h4-11H,12H2,1-3H3,(H,24,26).
What are the key properties of 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide has a molecular weight of 397.86 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 95922480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).