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

C13H10BrFN2O — CID 106544474

IUPAC3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H10BrFN2O/c1-8-5-6-16-7-11(8)17-13(18)9-3-2-4-10(14)12(9)15/h2-7H,1H3,(H,17,18)
InChIKeyFZDGPEHCAQWLIO-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

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

3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide (PubChem CID 106544474) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
PubChem CID106544474
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C13H10BrFN2O/c1-8-5-6-16-7-11(8)17-13(18)9-3-2-4-10(14)12(9)15/h2-7H,1H3,(H,17,18)
InChIKeyFZDGPEHCAQWLIO-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-chloro-3-pyridinyl)-2-fluorobenzamide
CID 106548031
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
CID 106644923
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide (CID 106544474) is 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is FZDGPEHCAQWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-5-6-16-7-11(8)17-13(18)9-3-2-4-10(14)12(9)15/h2-7H,1H3,(H,17,18).
What are the key properties of 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide?
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 309.14 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 106544474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).