4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C13H8ClF3N2O2 — CID 1485963

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESNC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H8ClF3N2O2/c14-10-5-8(13(15,16)17)6-19-12(10)21-9-3-1-7(2-4-9)11(18)20/h1-6H,(H2,18,20)
InChIKeyYUZFGWALNYDIAL-UHFFFAOYSA-N
MW316.67 g/mol
LogP3.64
Rot. Bonds3

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 1485963) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID1485963
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESNC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H8ClF3N2O2/c14-10-5-8(13(15,16)17)6-19-12(10)21-9-3-1-7(2-4-9)11(18)20/h1-6H,(H2,18,20)
InChIKeyYUZFGWALNYDIAL-UHFFFAOYSA-N
XLogP3.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 1485963) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is NC(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is YUZFGWALNYDIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-10-5-8(13(15,16)17)6-19-12(10)21-9-3-1-7(2-4-9)11(18)20/h1-6H,(H2,18,20).
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 316.67 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 1485963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).