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

C12H9BrFN3O — CID 65481637

IUPAC3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cn2)ccc1Br
InChIInChI=1S/C12H9BrFN3O/c13-9-3-1-7(5-10(9)15)12(18)17-11-4-2-8(14)6-16-11/h1-6H,15H2,(H,16,17,18)
InChIKeyMAZASIFTFQZSME-UHFFFAOYSA-N
MW310.13 g/mol
LogP2.82
Rot. Bonds2

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

3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide (PubChem CID 65481637) has the molecular formula C12H9BrFN3O and a molecular weight of 310.13 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
PubChem CID65481637
Molecular FormulaC12H9BrFN3O
Molecular Weight310.13 g/mol
Exact Mass308.99
IUPAC Name3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(F)cn2)ccc1Br
InChIInChI=1S/C12H9BrFN3O/c13-9-3-1-7(5-10(9)15)12(18)17-11-4-2-8(14)6-16-11/h1-6H,15H2,(H,16,17,18)
InChIKeyMAZASIFTFQZSME-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65481834
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
3-bromo-N-(5-fluoro-2-pyridinyl)benzamide
CID 52886230
3-amino-4,5-dichloro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480857
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
N-(5-fluoro-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 65479688
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
N-(5-fluoro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 65479896
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide (CID 65481637) is 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide is Nc1cc(C(=O)Nc2ccc(F)cn2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide?
The InChIKey is MAZASIFTFQZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O/c13-9-3-1-7(5-10(9)15)12(18)17-11-4-2-8(14)6-16-11/h1-6H,15H2,(H,16,17,18).
What are the key properties of 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide?
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide 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 3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 65481637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).