2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide

C14H13FN2O — CID 935612

IUPAC2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
SMILESC1=CC=C(C(=C1)C(=O)NCCC2=CC=NC=C2)F
InChIInChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)
InChIKeyHQJMILNSKHZGJL-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.20
Rot. Bonds4

About 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide

2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide (PubChem CID 935612) has the molecular formula C14H13FN2O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-fluoro-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
PubChem CID935612
Molecular FormulaC14H13FN2O
Molecular Weight244.26 g/mol
Exact Mass244.10
IUPAC Name2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
SMILESC1=CC=C(C(=C1)C(=O)NCCC2=CC=NC=C2)F
InChIInChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18)
InChIKeyHQJMILNSKHZGJL-UHFFFAOYSA-N
XLogP2.20
TPSA42.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity267

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide (CID 935612) is 2-fluoro-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide is C1=CC=C(C(=C1)C(=O)NCCC2=CC=NC=C2)F.
What is the InChIKey of 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide?
The InChIKey is HQJMILNSKHZGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-13-4-2-1-3-12(13)14(18)17-10-7-11-5-8-16-9-6-11/h1-6,8-9H,7,10H2,(H,17,18).
What are the key properties of 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide?
2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide has a molecular weight of 244.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide is sourced from PubChem (CID 935612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).