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

C13H10BrFN2O — CID 103715047

IUPAC3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-11(15)10(14)7-9/h2-7H,1H3,(H,17,18)
InChIKeyBSVRFNXOWZAYQU-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

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

3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 103715047) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID103715047
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H10BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-11(15)10(14)7-9/h2-7H,1H3,(H,17,18)
InChIKeyBSVRFNXOWZAYQU-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

4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
CID 79042973
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
4-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79043001
3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
4-(methylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79043682
4-[(3-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 103822569

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide (CID 103715047) is 3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is BSVRFNXOWZAYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-11(15)10(14)7-9/h2-7H,1H3,(H,17,18).
What are the key properties of 3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide?
3-bromo-4-fluoro-N-(2-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-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 103715047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).