2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide

C20H14F4N2O2 — CID 67106997

IUPAC2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccnc1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H14F4N2O2/c21-15-6-3-13(4-7-15)12-28-18-8-5-14(20(22,23)24)10-17(18)19(27)26-16-2-1-9-25-11-16/h1-11H,12H2,(H,26,27)
InChIKeyUYNNRABFCDICBU-UHFFFAOYSA-N
MW390.34 g/mol
LogP5.07
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide

2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide (PubChem CID 67106997) has the molecular formula C20H14F4N2O2 and a molecular weight of 390.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide
PubChem CID67106997
Molecular FormulaC20H14F4N2O2
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccnc1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C20H14F4N2O2/c21-15-6-3-13(4-7-15)12-28-18-8-5-14(20(22,23)24)10-17(18)19(27)26-16-2-1-9-25-11-16/h1-11H,12H2,(H,26,27)
InChIKeyUYNNRABFCDICBU-UHFFFAOYSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide (CID 67106997) is 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide is O=C(Nc1cccnc1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide?
The InChIKey is UYNNRABFCDICBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2/c21-15-6-3-13(4-7-15)12-28-18-8-5-14(20(22,23)24)10-17(18)19(27)26-16-2-1-9-25-11-16/h1-11H,12H2,(H,26,27).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide?
2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide has a molecular weight of 390.34 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-pyridin-3-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67106997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).