3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C20H14ClF3N2O2 — CID 59672736

IUPAC3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(Cl)c2)c1
InChIInChI=1S/C20H14ClF3N2O2/c1-28-14-5-2-4-13(11-14)26-19(27)12-7-8-15(17(21)10-12)18-16(20(22,23)24)6-3-9-25-18/h2-11H,1H3,(H,26,27)
InChIKeyZUSUAHBTGSKPGY-UHFFFAOYSA-N
MW406.79 g/mol
LogP5.68
Rot. Bonds4

About 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59672736) has the molecular formula C20H14ClF3N2O2 and a molecular weight of 406.79 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59672736
Molecular FormulaC20H14ClF3N2O2
Molecular Weight406.79 g/mol
Exact Mass406.07
IUPAC Name3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(Cl)c2)c1
InChIInChI=1S/C20H14ClF3N2O2/c1-28-14-5-2-4-13(11-14)26-19(27)12-7-8-15(17(21)10-12)18-16(20(22,23)24)6-3-9-25-18/h2-11H,1H3,(H,26,27)
InChIKeyZUSUAHBTGSKPGY-UHFFFAOYSA-N
XLogP5.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.79
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59672736) is 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is COc1cccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is ZUSUAHBTGSKPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2/c1-28-14-5-2-4-13(11-14)26-19(27)12-7-8-15(17(21)10-12)18-16(20(22,23)24)6-3-9-25-18/h2-11H,1H3,(H,26,27).
What are the key properties of 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 406.79 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59672736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).