N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide

C19H13F3N2O2 — CID 58337574

IUPACN-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Oc2cccnc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)14-5-1-4-13(10-14)18(25)24-15-6-2-7-16(11-15)26-17-8-3-9-23-12-17/h1-12H,(H,24,25)
InChIKeyZQPPJPJKPSCHSA-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.14
Rot. Bonds4

About N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide

N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 58337574) has the molecular formula C19H13F3N2O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide
PubChem CID58337574
Molecular FormulaC19H13F3N2O2
Molecular Weight358.32 g/mol
Exact Mass358.09
IUPAC NameN-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Oc2cccnc2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13F3N2O2/c20-19(21,22)14-5-1-4-13(10-14)18(25)24-15-6-2-7-16(11-15)26-17-8-3-9-23-12-17/h1-12H,(H,24,25)
InChIKeyZQPPJPJKPSCHSA-UHFFFAOYSA-N
XLogP5.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide (CID 58337574) is N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(Oc2cccnc2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ZQPPJPJKPSCHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O2/c20-19(21,22)14-5-1-4-13(10-14)18(25)24-15-6-2-7-16(11-15)26-17-8-3-9-23-12-17/h1-12H,(H,24,25).
What are the key properties of N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide?
N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 358.32 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-3-yloxyphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58337574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).