2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide

C12H9F2N3O — CID 114253904

IUPAC2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide
SMILESNc1c(F)cccc1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C12H9F2N3O/c13-7-4-8(6-16-5-7)17-12(18)9-2-1-3-10(14)11(9)15/h1-6H,15H2,(H,17,18)
InChIKeyWYHPJYJEZBYAOX-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.19
Rot. Bonds2

About 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide

2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide (PubChem CID 114253904) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide
PubChem CID114253904
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide
SMILESNc1c(F)cccc1C(=O)Nc1cncc(F)c1
InChIInChI=1S/C12H9F2N3O/c13-7-4-8(6-16-5-7)17-12(18)9-2-1-3-10(14)11(9)15/h1-6H,15H2,(H,17,18)
InChIKeyWYHPJYJEZBYAOX-UHFFFAOYSA-N
XLogP2.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(5-fluoro-3-pyridinyl)-6-hydroxybenzamide
CID 114217702
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
2-bromo-N-(5-fluoro-3-pyridinyl)-5-iodobenzamide
CID 114217625
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114254070
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
3-amino-2-[(5-fluoro-3-pyridinyl)amino]-N-methylbenzamide
CID 58459128
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide (CID 114253904) is 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide is Nc1c(F)cccc1C(=O)Nc1cncc(F)c1.
What is the InChIKey of 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide?
The InChIKey is WYHPJYJEZBYAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-7-4-8(6-16-5-7)17-12(18)9-2-1-3-10(14)11(9)15/h1-6H,15H2,(H,17,18).
What are the key properties of 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide?
2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide has a molecular weight of 249.22 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide is sourced from PubChem (CID 114253904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).