2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

C14H13FN2O — CID 822441

IUPAC2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)9-14(18)17-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
InChIKeyXJIONHJIIAVRGP-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.08
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 822441) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID822441
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)9-14(18)17-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
InChIKeyXJIONHJIIAVRGP-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 822441) is 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc(F)cc1)NCc1ccccn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is XJIONHJIIAVRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-12-6-4-11(5-7-12)9-14(18)17-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 244.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 822441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).