2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide

C21H17F3N2O2 — CID 71089372

IUPAC2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cc(COCc2ccc(F)cc2)ccn1
InChIInChI=1S/C21H17F3N2O2/c22-17-3-1-14(2-4-17)12-28-13-15-5-6-25-20(9-15)26-21(27)10-16-7-18(23)11-19(24)8-16/h1-9,11H,10,12-13H2,(H,25,26,27)
InChIKeyHRPHEPIAXRGWIS-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.40
Rot. Bonds7

About 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide

2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide (PubChem CID 71089372) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide
PubChem CID71089372
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cc(COCc2ccc(F)cc2)ccn1
InChIInChI=1S/C21H17F3N2O2/c22-17-3-1-14(2-4-17)12-28-13-15-5-6-25-20(9-15)26-21(27)10-16-7-18(23)11-19(24)8-16/h1-9,11H,10,12-13H2,(H,25,26,27)
InChIKeyHRPHEPIAXRGWIS-UHFFFAOYSA-N
XLogP4.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide (CID 71089372) is 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide is O=C(Cc1cc(F)cc(F)c1)Nc1cc(COCc2ccc(F)cc2)ccn1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide?
The InChIKey is HRPHEPIAXRGWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-17-3-1-14(2-4-17)12-28-13-15-5-6-25-20(9-15)26-21(27)10-16-7-18(23)11-19(24)8-16/h1-9,11H,10,12-13H2,(H,25,26,27).
What are the key properties of 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide?
2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide has a molecular weight of 386.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[4-[(4-fluorophenyl)methoxymethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 71089372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).