2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide

C13H7F5N2O — CID 103874425

IUPAC2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccncc1F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H7F5N2O/c14-9-2-1-7(13(16,17)18)5-8(9)12(21)20-11-3-4-19-6-10(11)15/h1-6H,(H,19,20,21)
InChIKeyWIYLNKVRIKLEKQ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.63
Rot. Bonds2

About 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide (PubChem CID 103874425) has the molecular formula C13H7F5N2O and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
PubChem CID103874425
Molecular FormulaC13H7F5N2O
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccncc1F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H7F5N2O/c14-9-2-1-7(13(16,17)18)5-8(9)12(21)20-11-3-4-19-6-10(11)15/h1-6H,(H,19,20,21)
InChIKeyWIYLNKVRIKLEKQ-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
2-fluoro-N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide
CID 121264642
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
N-(3-fluoro-4-pyridinyl)-3-hydrazinylpyridine-4-carboxamide
CID 107595570
2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 138989555
2-fluoro-N-(3-formyl-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 173323900
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
N-(3-chloro-2-pyridinyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 103943594
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062709

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide (CID 103874425) is 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide is O=C(Nc1ccncc1F)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide?
The InChIKey is WIYLNKVRIKLEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N2O/c14-9-2-1-7(13(16,17)18)5-8(9)12(21)20-11-3-4-19-6-10(11)15/h1-6H,(H,19,20,21).
What are the key properties of 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide has a molecular weight of 302.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103874425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).