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

C14H12BrFN2O2 — CID 81489117

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ncc(Br)cc2C)ccc1F
InChIInChI=1S/C14H12BrFN2O2/c1-8-5-10(15)7-17-13(8)18-14(19)9-3-4-11(16)12(6-9)20-2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyLAJWIEVSIKGFMU-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.55
Rot. Bonds3

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

N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81489117) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide
PubChem CID81489117
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ncc(Br)cc2C)ccc1F
InChIInChI=1S/C14H12BrFN2O2/c1-8-5-10(15)7-17-13(8)18-14(19)9-3-4-11(16)12(6-9)20-2/h3-7H,1-2H3,(H,17,18,19)
InChIKeyLAJWIEVSIKGFMU-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 81487581
N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
CID 83171125
2-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 83167261
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methoxyphenyl)acetamide
CID 81489105
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-5-methoxybenzamide
CID 83166414
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
N-(5-amino-3-methyl-2-pyridinyl)-3-chloro-4-fluorobenzamide
CID 112555425
N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83165588
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide (CID 81489117) is N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ncc(Br)cc2C)ccc1F.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is LAJWIEVSIKGFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-8-5-10(15)7-17-13(8)18-14(19)9-3-4-11(16)12(6-9)20-2/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide?
N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide has a molecular weight of 339.16 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81489117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).