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

C21H15F5N2O2 — CID 90393826

IUPAC2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Oc3ncc(F)cc3C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C21H15F5N2O2/c1-11-7-12(2)18(17(23)8-11)19(29)28-14-3-5-15(6-4-14)30-20-16(21(24,25)26)9-13(22)10-27-20/h3-10H,1-2H3,(H,28,29)
InChIKeyHNAFCDZOTFFRNO-UHFFFAOYSA-N
MW422.35 g/mol
LogP6.04
Rot. Bonds4

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

2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide (PubChem CID 90393826) has the molecular formula C21H15F5N2O2 and a molecular weight of 422.35 g/mol. Its IUPAC name is 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide
PubChem CID90393826
Molecular FormulaC21H15F5N2O2
Molecular Weight422.35 g/mol
Exact Mass422.11
IUPAC Name2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Oc3ncc(F)cc3C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C21H15F5N2O2/c1-11-7-12(2)18(17(23)8-11)19(29)28-14-3-5-15(6-4-14)30-20-16(21(24,25)26)9-13(22)10-27-20/h3-10H,1-2H3,(H,28,29)
InChIKeyHNAFCDZOTFFRNO-UHFFFAOYSA-N
XLogP6.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.35
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide?
The IUPAC name of 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide (CID 90393826) is 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Oc3ncc(F)cc3C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide?
The InChIKey is HNAFCDZOTFFRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N2O2/c1-11-7-12(2)18(17(23)8-11)19(29)28-14-3-5-15(6-4-14)30-20-16(21(24,25)26)9-13(22)10-27-20/h3-10H,1-2H3,(H,28,29).
What are the key properties of 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide?
2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide has a molecular weight of 422.35 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4,6-dimethylbenzamide is sourced from PubChem (CID 90393826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).