N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide

C13H8BrF2NO2 — CID 135066630

IUPACN-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1c(O)cccc1Br)c1c(F)cccc1F
InChIInChI=1S/C13H8BrF2NO2/c14-7-3-1-6-10(18)12(7)17-13(19)11-8(15)4-2-5-9(11)16/h1-6,18H,(H,17,19)
InChIKeyQKRVCZPSFSQBOL-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.69
Rot. Bonds2

About N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide

N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide (PubChem CID 135066630) has the molecular formula C13H8BrF2NO2 and a molecular weight of 328.11 g/mol. Its IUPAC name is N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
PubChem CID135066630
Molecular FormulaC13H8BrF2NO2
Molecular Weight328.11 g/mol
Exact Mass326.97
IUPAC NameN-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1c(O)cccc1Br)c1c(F)cccc1F
InChIInChI=1S/C13H8BrF2NO2/c14-7-3-1-6-10(18)12(7)17-13(19)11-8(15)4-2-5-9(11)16/h1-6,18H,(H,17,19)
InChIKeyQKRVCZPSFSQBOL-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
N-(2-bromo-6-fluorophenyl)-2,3-difluorobenzamide
CID 103741269
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267
N-(3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 104929862
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
N-(2-bromo-6-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676888
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(2-bromo-6-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 107600810
N-(2-bromo-4-chlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015030
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide (CID 135066630) is N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide is O=C(Nc1c(O)cccc1Br)c1c(F)cccc1F.
What is the InChIKey of N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide?
The InChIKey is QKRVCZPSFSQBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO2/c14-7-3-1-6-10(18)12(7)17-13(19)11-8(15)4-2-5-9(11)16/h1-6,18H,(H,17,19).
What are the key properties of N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide?
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide has a molecular weight of 328.11 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 135066630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).