5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide

C21H13ClF5NO3 — CID 162720867

IUPAC5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1ccc(F)c(O)c1
InChIInChI=1S/C21H13ClF5NO3/c1-10-6-11(23)2-5-18(10)31-19-9-14(21(25,26)27)15(22)8-13(19)20(30)28-12-3-4-16(24)17(29)7-12/h2-9,29H,1H3,(H,28,30)
InChIKeyXIZIJTRMHFKJSJ-UHFFFAOYSA-N
MW457.78 g/mol
LogP6.70
Rot. Bonds4

About 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide

5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide (PubChem CID 162720867) has the molecular formula C21H13ClF5NO3 and a molecular weight of 457.78 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
PubChem CID162720867
Molecular FormulaC21H13ClF5NO3
Molecular Weight457.78 g/mol
Exact Mass457.05
IUPAC Name5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1ccc(F)c(O)c1
InChIInChI=1S/C21H13ClF5NO3/c1-10-6-11(23)2-5-18(10)31-19-9-14(21(25,26)27)15(22)8-13(19)20(30)28-12-3-4-16(24)17(29)7-12/h2-9,29H,1H3,(H,28,30)
InChIKeyXIZIJTRMHFKJSJ-UHFFFAOYSA-N
XLogP6.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.78
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide (CID 162720867) is 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1ccc(F)c(O)c1.
What is the InChIKey of 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide?
The InChIKey is XIZIJTRMHFKJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF5NO3/c1-10-6-11(23)2-5-18(10)31-19-9-14(21(25,26)27)15(22)8-13(19)20(30)28-12-3-4-16(24)17(29)7-12/h2-9,29H,1H3,(H,28,30).
What are the key properties of 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide?
5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide has a molecular weight of 457.78 g/mol, XLogP of 6.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluoro-3-hydroxyphenyl)-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 162720867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).