2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide

C12H9BrFN3O — CID 114051392

IUPAC2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C12H9BrFN3O/c13-11-10(2-1-5-16-11)17-12(18)8-6-7(14)3-4-9(8)15/h1-6H,15H2,(H,17,18)
InChIKeyKFIWGIYHOXLGGZ-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide

2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide (PubChem CID 114051392) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
PubChem CID114051392
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1cccnc1Br
InChIInChI=1S/C12H9BrFN3O/c13-11-10(2-1-5-16-11)17-12(18)8-6-7(14)3-4-9(8)15/h1-6H,15H2,(H,17,18)
InChIKeyKFIWGIYHOXLGGZ-UHFFFAOYSA-N
XLogP2.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
CID 43706604
5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
CID 114089631
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
CID 103819257
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
N-(2-bromo-3-pyridinyl)-2,5-difluoro-4-nitrobenzamide
CID 104705397
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
2-amino-5-fluoro-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102903161
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide (CID 114051392) is 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide is Nc1ccc(F)cc1C(=O)Nc1cccnc1Br.
What is the InChIKey of 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide?
The InChIKey is KFIWGIYHOXLGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-11-10(2-1-5-16-11)17-12(18)8-6-7(14)3-4-9(8)15/h1-6H,15H2,(H,17,18).
What are the key properties of 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide?
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide has a molecular weight of 310.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide is sourced from PubChem (CID 114051392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).