N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide

C18H11F4N3O — CID 130472965

IUPACN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H11F4N3O/c19-13-8-12(9-23-10-13)14-6-7-15(16(24-14)18(20,21)22)25-17(26)11-4-2-1-3-5-11/h1-10H,(H,25,26)
InChIKeyVQEDYIMEAITGGH-UHFFFAOYSA-N
MW361.30 g/mol
LogP4.55
Rot. Bonds3

About N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide

N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 130472965) has the molecular formula C18H11F4N3O and a molecular weight of 361.30 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID130472965
Molecular FormulaC18H11F4N3O
Molecular Weight361.30 g/mol
Exact Mass361.08
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H11F4N3O/c19-13-8-12(9-23-10-13)14-6-7-15(16(24-14)18(20,21)22)25-17(26)11-4-2-1-3-5-11/h1-10H,(H,25,26)
InChIKeyVQEDYIMEAITGGH-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-phenoxyacetamide
CID 130473217
2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
3,3,3-trifluoro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 130473001
(E)-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]but-2-enamide
CID 130472969
1-(2,2-dimethylpropyl)-3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]urea
CID 130471303
2-cyclohexyl-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473393
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 130471345
cyclohexyl N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]carbamate
CID 130471307
N-[2-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]-4-methylbenzamide
CID 138496142
2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-(1-phenylethyl)pyridin-3-amine
CID 130473546
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 145373033
6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
CID 130453759

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide (CID 130472965) is N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide is O=C(Nc1ccc(-c2cncc(F)c2)nc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is VQEDYIMEAITGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O/c19-13-8-12(9-23-10-13)14-6-7-15(16(24-14)18(20,21)22)25-17(26)11-4-2-1-3-5-11/h1-10H,(H,25,26).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide?
N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 361.30 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 130472965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).