2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide

C14H10F4N2O — CID 79883496

IUPAC2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H10F4N2O/c15-12-10(4-1-5-11(12)14(16,17)18)13(21)20-8-9-3-2-6-19-7-9/h1-7H,8H2,(H,20,21)
InChIKeyYZAKYIVUONTDAG-UHFFFAOYSA-N
MW298.24 g/mol
LogP3.17
Rot. Bonds3

About 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide

2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 79883496) has the molecular formula C14H10F4N2O and a molecular weight of 298.24 g/mol. Its IUPAC name is 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID79883496
Molecular FormulaC14H10F4N2O
Molecular Weight298.24 g/mol
Exact Mass298.07
IUPAC Name2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H10F4N2O/c15-12-10(4-1-5-11(12)14(16,17)18)13(21)20-8-9-3-2-6-19-7-9/h1-7H,8H2,(H,20,21)
InChIKeyYZAKYIVUONTDAG-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 47801296
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
5-amino-2,4-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 61095317
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide (CID 79883496) is 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide is O=C(NCc1cccnc1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is YZAKYIVUONTDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O/c15-12-10(4-1-5-11(12)14(16,17)18)13(21)20-8-9-3-2-6-19-7-9/h1-7H,8H2,(H,20,21).
What are the key properties of 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 298.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79883496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).