2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

C19H11ClF4N2O2 — CID 155525693

IUPAC2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cncc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C19H11ClF4N2O2/c20-15-2-1-3-16(21)17(15)18(27)26-12-4-6-13(7-5-12)28-14-8-11(9-25-10-14)19(22,23)24/h1-10H,(H,26,27)
InChIKeySCGAUHOBRHOBHL-UHFFFAOYSA-N
MW410.75 g/mol
LogP5.94
Rot. Bonds4

About 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide

2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (PubChem CID 155525693) has the molecular formula C19H11ClF4N2O2 and a molecular weight of 410.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
PubChem CID155525693
Molecular FormulaC19H11ClF4N2O2
Molecular Weight410.75 g/mol
Exact Mass410.04
IUPAC Name2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2cncc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl
InChIInChI=1S/C19H11ClF4N2O2/c20-15-2-1-3-16(21)17(15)18(27)26-12-4-6-13(7-5-12)28-14-8-11(9-25-10-14)19(22,23)24/h1-10H,(H,26,27)
InChIKeySCGAUHOBRHOBHL-UHFFFAOYSA-N
XLogP5.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.75
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide (CID 155525693) is 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is O=C(Nc1ccc(Oc2cncc(C(F)(F)F)c2)cc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
The InChIKey is SCGAUHOBRHOBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF4N2O2/c20-15-2-1-3-16(21)17(15)18(27)26-12-4-6-13(7-5-12)28-14-8-11(9-25-10-14)19(22,23)24/h1-10H,(H,26,27).
What are the key properties of 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide?
2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 410.75 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[4-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 155525693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).