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

C12H10FN3O — CID 107594598

IUPAC2-amino-N-(3-fluoro-4-pyridinyl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccncc1F
InChIInChI=1S/C12H10FN3O/c13-9-7-15-6-5-11(9)16-12(17)8-3-1-2-4-10(8)14/h1-7H,14H2,(H,15,16,17)
InChIKeyBYWFSRAUYBUOIA-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.06
Rot. Bonds2

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

2-amino-N-(3-fluoro-4-pyridinyl)benzamide (PubChem CID 107594598) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-pyridinyl)benzamide
PubChem CID107594598
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name2-amino-N-(3-fluoro-4-pyridinyl)benzamide
SMILESNc1ccccc1C(=O)Nc1ccncc1F
InChIInChI=1S/C12H10FN3O/c13-9-7-15-6-5-11(9)16-12(17)8-3-1-2-4-10(8)14/h1-7H,14H2,(H,15,16,17)
InChIKeyBYWFSRAUYBUOIA-UHFFFAOYSA-N
XLogP2.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.06
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-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
N-(3-fluoro-4-pyridinyl)-3-hydrazinylpyridine-4-carboxamide
CID 107595570
N-(3-amino-4-pyridinyl)-2-iodobenzamide
CID 63061561
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566
N-(3-fluoro-4-pyridinyl)-1-hydroxynaphthalene-2-carboxamide
CID 103874401
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
N-(2-amino-6-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 81315197
N-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 103874422
7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
CID 107594603

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-pyridinyl)benzamide (CID 107594598) is 2-amino-N-(3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-pyridinyl)benzamide is Nc1ccccc1C(=O)Nc1ccncc1F.
What is the InChIKey of 2-amino-N-(3-fluoro-4-pyridinyl)benzamide?
The InChIKey is BYWFSRAUYBUOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c13-9-7-15-6-5-11(9)16-12(17)8-3-1-2-4-10(8)14/h1-7H,14H2,(H,15,16,17).
What are the key properties of 2-amino-N-(3-fluoro-4-pyridinyl)benzamide?
2-amino-N-(3-fluoro-4-pyridinyl)benzamide has a molecular weight of 231.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 107594598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).