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

C12H9F2N3O — CID 65481834

IUPAC4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cn2)cc1F
InChIInChI=1S/C12H9F2N3O/c13-8-2-4-11(16-6-8)17-12(18)7-1-3-10(15)9(14)5-7/h1-6H,15H2,(H,16,17,18)
InChIKeyFLIJCOFREBTRDU-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.19
Rot. Bonds2

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

4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide (PubChem CID 65481834) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
PubChem CID65481834
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cn2)cc1F
InChIInChI=1S/C12H9F2N3O/c13-8-2-4-11(16-6-8)17-12(18)7-1-3-10(15)9(14)5-7/h1-6H,15H2,(H,16,17,18)
InChIKeyFLIJCOFREBTRDU-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'}

Analyze 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)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

3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481637
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide
CID 162519877
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480690
3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480857
N-(5-fluoro-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 65479688
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
N-(5-fluoro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 65479896
5-chloro-N-(5-fluoro-2-pyridinyl)-6-hydrazinylpyridine-3-carboxamide
CID 65481484

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide (CID 65481834) is 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide is Nc1ccc(C(=O)Nc2ccc(F)cn2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide?
The InChIKey is FLIJCOFREBTRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c13-8-2-4-11(16-6-8)17-12(18)7-1-3-10(15)9(14)5-7/h1-6H,15H2,(H,16,17,18).
What are the key properties of 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide?
4-amino-3-fluoro-N-(5-fluoro-2-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 4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 65481834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).