3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide

C20H18FN3O3 — CID 122302849

IUPAC3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
SMILESCOc1nc(C)c(NC(=O)c2cccc(Oc3ccc(F)cc3)c2)c(C)n1
InChIInChI=1S/C20H18FN3O3/c1-12-18(13(2)23-20(22-12)26-3)24-19(25)14-5-4-6-17(11-14)27-16-9-7-15(21)8-10-16/h4-11H,1-3H3,(H,24,25)
InChIKeySRVDETCFSMZNTJ-UHFFFAOYSA-N
MW367.38 g/mol
LogP4.29
Rot. Bonds5

About 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide

3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide (PubChem CID 122302849) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
PubChem CID122302849
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
SMILESCOc1nc(C)c(NC(=O)c2cccc(Oc3ccc(F)cc3)c2)c(C)n1
InChIInChI=1S/C20H18FN3O3/c1-12-18(13(2)23-20(22-12)26-3)24-19(25)14-5-4-6-17(11-14)27-16-9-7-15(21)8-10-16/h4-11H,1-3H3,(H,24,25)
InChIKeySRVDETCFSMZNTJ-UHFFFAOYSA-N
XLogP4.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122303779
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
1-(3-fluorophenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302636
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122302822
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
4-(4-fluorophenoxy)-N-(6-methyl-2-pyridinyl)benzamide
CID 35505697
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide (CID 122302849) is 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide is COc1nc(C)c(NC(=O)c2cccc(Oc3ccc(F)cc3)c2)c(C)n1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The InChIKey is SRVDETCFSMZNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-12-18(13(2)23-20(22-12)26-3)24-19(25)14-5-4-6-17(11-14)27-16-9-7-15(21)8-10-16/h4-11H,1-3H3,(H,24,25).
What are the key properties of 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide has a molecular weight of 367.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 122302849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).