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

C13H10BrFN2O — CID 63327503

IUPAC5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN2O/c1-8-4-5-16-7-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-7H,1H3,(H,17,18)
InChIKeyUXYZKMRTXPJCBW-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.54
Rot. Bonds2

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

5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide (PubChem CID 63327503) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
PubChem CID63327503
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC Name5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN2O/c1-8-4-5-16-7-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-7H,1H3,(H,17,18)
InChIKeyUXYZKMRTXPJCBW-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

2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
CID 103924957
5-bromo-2-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700595
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
2,6-difluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 155976888
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
3,4,5-trifluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327399
5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
CID 65311874
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
5-fluoro-6-methyl-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 146080352
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide (CID 63327503) is 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is UXYZKMRTXPJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c1-8-4-5-16-7-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide?
5-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 5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 63327503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).