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

C12H7BrF2N2O — CID 103871197

IUPAC4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1ccncc1F)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H7BrF2N2O/c13-8-2-1-7(5-9(8)14)12(18)17-11-3-4-16-6-10(11)15/h1-6H,(H,16,17,18)
InChIKeyLIYOQWMHUNVOSQ-UHFFFAOYSA-N
MW313.10 g/mol
LogP3.37
Rot. Bonds2

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

4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide (PubChem CID 103871197) has the molecular formula C12H7BrF2N2O and a molecular weight of 313.10 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
PubChem CID103871197
Molecular FormulaC12H7BrF2N2O
Molecular Weight313.10 g/mol
Exact Mass311.97
IUPAC Name4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
SMILESO=C(Nc1ccncc1F)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H7BrF2N2O/c13-8-2-1-7(5-9(8)14)12(18)17-11-3-4-16-6-10(11)15/h1-6H,(H,16,17,18)
InChIKeyLIYOQWMHUNVOSQ-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

6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
N-(3-bromo-4-pyridinyl)-4-chloro-3-fluorobenzamide
CID 113343605
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
3-bromo-5-chloro-N-(3-fluoro-4-pyridinyl)benzamide
CID 113343068
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
CID 63061741
2,6-dichloro-N-(3-fluoro-4-pyridinyl)pyridine-4-carboxamide
CID 113342448
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
CID 103874413
4-bromo-N-(2-bromo-4-fluorophenyl)-3-fluorobenzamide
CID 47421840
4-bromo-N-(3-bromo-4-pyridinyl)-3-methylbenzamide
CID 112548050
N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 57412037
4-bromo-N-(4-chloro-2-iodophenyl)-3-fluorobenzamide
CID 107626139

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide (CID 103871197) is 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide is O=C(Nc1ccncc1F)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide?
The InChIKey is LIYOQWMHUNVOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2N2O/c13-8-2-1-7(5-9(8)14)12(18)17-11-3-4-16-6-10(11)15/h1-6H,(H,16,17,18).
What are the key properties of 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide?
4-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 4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 103871197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).