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

C12H7BrF2N2O — CID 107595178

IUPAC2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1ccncc1F)c1cccc(F)c1Br
InChIInChI=1S/C12H7BrF2N2O/c13-11-7(2-1-3-8(11)14)12(18)17-10-4-5-16-6-9(10)15/h1-6H,(H,16,17,18)
InChIKeyBKXOGFSBLPVVIQ-UHFFFAOYSA-N
MW313.10 g/mol
LogP3.37
Rot. Bonds2

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

2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide (PubChem CID 107595178) has the molecular formula C12H7BrF2N2O and a molecular weight of 313.10 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
PubChem CID107595178
Molecular FormulaC12H7BrF2N2O
Molecular Weight313.10 g/mol
Exact Mass311.97
IUPAC Name2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1ccncc1F)c1cccc(F)c1Br
InChIInChI=1S/C12H7BrF2N2O/c13-11-7(2-1-3-8(11)14)12(18)17-10-4-5-16-6-9(10)15/h1-6H,(H,16,17,18)
InChIKeyBKXOGFSBLPVVIQ-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
3-fluoro-N-(3-fluoro-4-pyridinyl)-2-(propylamino)benzamide
CID 107595462
N-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 103874422
N-(3-fluoro-4-pyridinyl)-3-hydrazinylpyridine-4-carboxamide
CID 107595570
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566
3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 114558544
N-(3-fluoro-4-pyridinyl)-1-hydroxynaphthalene-2-carboxamide
CID 103874401
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide (CID 107595178) is 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide is O=C(Nc1ccncc1F)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide?
The InChIKey is BKXOGFSBLPVVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O/c13-11-7(2-1-3-8(11)14)12(18)17-10-4-5-16-6-9(10)15/h1-6H,(H,16,17,18).
What are the key properties of 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide?
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide has a molecular weight of 313.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 107595178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).