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

C14H10F4N2O2 — CID 172774529

IUPAC2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(C(F)(F)F)c2F)ccn1
InChIInChI=1S/C14H10F4N2O2/c1-22-11-7-8(5-6-19-11)20-13(21)9-3-2-4-10(12(9)15)14(16,17)18/h2-7H,1H3,(H,19,20,21)
InChIKeyNKERQUWILZKCBI-UHFFFAOYSA-N
MW314.24 g/mol
LogP3.50
Rot. Bonds3

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

2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide (PubChem CID 172774529) has the molecular formula C14H10F4N2O2 and a molecular weight of 314.24 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
PubChem CID172774529
Molecular FormulaC14H10F4N2O2
Molecular Weight314.24 g/mol
Exact Mass314.07
IUPAC Name2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(C(F)(F)F)c2F)ccn1
InChIInChI=1S/C14H10F4N2O2/c1-22-11-7-8(5-6-19-11)20-13(21)9-3-2-4-10(12(9)15)14(16,17)18/h2-7H,1H3,(H,19,20,21)
InChIKeyNKERQUWILZKCBI-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
CID 79884775
2-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(2-methylprop-1-enyl)-4-(trifluoromethyl)benzamide
CID 163361435
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
methyl 2-[[2-fluoro-3-(trifluoromethyl)benzoyl]amino]acetate
CID 79885001
2-[2-(2-amino-2-oxoethoxy)-4-fluorophenoxy]-4-cyclopropyl-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 163361470
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 79885826
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
CID 112739552

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide (CID 172774529) is 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide is COc1cc(NC(=O)c2cccc(C(F)(F)F)c2F)ccn1.
What is the InChIKey of 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide?
The InChIKey is NKERQUWILZKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O2/c1-22-11-7-8(5-6-19-11)20-13(21)9-3-2-4-10(12(9)15)14(16,17)18/h2-7H,1H3,(H,19,20,21).
What are the key properties of 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide has a molecular weight of 314.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 172774529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).