4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide

C13H10BrFN2O2 — CID 47421902

IUPAC4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C13H10BrFN2O2/c1-19-12-5-3-9(7-16-12)17-13(18)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,17,18)
InChIKeyOPBGPDYWCZIRGB-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide

4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 47421902) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID47421902
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)c(F)c2)cn1
InChIInChI=1S/C13H10BrFN2O2/c1-19-12-5-3-9(7-16-12)17-13(18)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,17,18)
InChIKeyOPBGPDYWCZIRGB-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide
CID 47421930
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
4-(difluoromethylsulfanyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 42030650

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide (CID 47421902) is 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(Br)c(F)c2)cn1.
What is the InChIKey of 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is OPBGPDYWCZIRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-19-12-5-3-9(7-16-12)17-13(18)8-2-4-10(14)11(15)6-8/h2-7H,1H3,(H,17,18).
What are the key properties of 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide?
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 325.14 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 47421902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).