5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide

C14H11BrFNO3 — CID 105285229

IUPAC5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
SMILESCOc1cc(NC(=O)c2cc(Br)ccc2O)ccc1F
InChIInChI=1S/C14H11BrFNO3/c1-20-13-7-9(3-4-11(13)16)17-14(19)10-6-8(15)2-5-12(10)18/h2-7,18H,1H3,(H,17,19)
InChIKeyPZUJJHUMGSYUSZ-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.55
Rot. Bonds3

About 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide

5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide (PubChem CID 105285229) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
PubChem CID105285229
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
SMILESCOc1cc(NC(=O)c2cc(Br)ccc2O)ccc1F
InChIInChI=1S/C14H11BrFNO3/c1-20-13-7-9(3-4-11(13)16)17-14(19)10-6-8(15)2-5-12(10)18/h2-7,18H,1H3,(H,17,19)
InChIKeyPZUJJHUMGSYUSZ-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
N-(4-bromo-3-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 82867994
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide (CID 105285229) is 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide is COc1cc(NC(=O)c2cc(Br)ccc2O)ccc1F.
What is the InChIKey of 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide?
The InChIKey is PZUJJHUMGSYUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c1-20-13-7-9(3-4-11(13)16)17-14(19)10-6-8(15)2-5-12(10)18/h2-7,18H,1H3,(H,17,19).
What are the key properties of 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide?
5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide has a molecular weight of 340.15 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 105285229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).