2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide

C19H16FN3O2 — CID 121165301

IUPAC2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C19H16FN3O2/c20-16-3-1-2-4-18(16)25-13-19(24)23-12-14-5-10-22-17(11-14)15-6-8-21-9-7-15/h1-11H,12-13H2,(H,23,24)
InChIKeyVJODOZAAKJJIKX-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.98
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide

2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide (PubChem CID 121165301) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
PubChem CID121165301
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C19H16FN3O2/c20-16-3-1-2-4-18(16)25-13-19(24)23-12-14-5-10-22-17(11-14)15-6-8-21-9-7-15/h1-11H,12-13H2,(H,23,24)
InChIKeyVJODOZAAKJJIKX-UHFFFAOYSA-N
XLogP2.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide (CID 121165301) is 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide is O=C(COc1ccccc1F)NCc1ccnc(-c2ccncc2)c1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is VJODOZAAKJJIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-16-3-1-2-4-18(16)25-13-19(24)23-12-14-5-10-22-17(11-14)15-6-8-21-9-7-15/h1-11H,12-13H2,(H,23,24).
What are the key properties of 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 337.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 121165301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).