2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide

C20H16F2N2O3 — CID 166628124

IUPAC2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide
SMILESCNC(=O)c1cc(Oc2cccc(-c3cccc(OC)c3F)n2)ccc1F
InChIInChI=1S/C20H16F2N2O3/c1-23-20(25)14-11-12(9-10-15(14)21)27-18-8-4-6-16(24-18)13-5-3-7-17(26-2)19(13)22/h3-11H,1-2H3,(H,23,25)
InChIKeyJDARJWPEDZDGGG-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.19
Rot. Bonds5

About 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide

2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide (PubChem CID 166628124) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide
PubChem CID166628124
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide
SMILESCNC(=O)c1cc(Oc2cccc(-c3cccc(OC)c3F)n2)ccc1F
InChIInChI=1S/C20H16F2N2O3/c1-23-20(25)14-11-12(9-10-15(14)21)27-18-8-4-6-16(24-18)13-5-3-7-17(26-2)19(13)22/h3-11H,1-2H3,(H,23,25)
InChIKeyJDARJWPEDZDGGG-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide?
The IUPAC name of 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide (CID 166628124) is 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide?
The canonical SMILES for 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide is CNC(=O)c1cc(Oc2cccc(-c3cccc(OC)c3F)n2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide?
The InChIKey is JDARJWPEDZDGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c1-23-20(25)14-11-12(9-10-15(14)21)27-18-8-4-6-16(24-18)13-5-3-7-17(26-2)19(13)22/h3-11H,1-2H3,(H,23,25).
What are the key properties of 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide?
2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide has a molecular weight of 370.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[6-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]oxy]-N-methylbenzamide is sourced from PubChem (CID 166628124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).