4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide

C13H9BrFNO2 — CID 64787655

IUPAC4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrFNO2/c14-9-3-1-8(2-4-9)13(18)16-12-6-5-10(17)7-11(12)15/h1-7,17H,(H,16,18)
InChIKeyGXZZUYJJGQRECP-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.55
Rot. Bonds2

About 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide

4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide (PubChem CID 64787655) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
PubChem CID64787655
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrFNO2/c14-9-3-1-8(2-4-9)13(18)16-12-6-5-10(17)7-11(12)15/h1-7,17H,(H,16,18)
InChIKeyGXZZUYJJGQRECP-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 64793492
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 104853246
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
N-(2-fluoro-4-hydroxyphenyl)-3-methoxy-4-methylbenzamide
CID 64795336
N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
CID 2991219

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide?
The IUPAC name of 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide (CID 64787655) is 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)cc1F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide?
The InChIKey is GXZZUYJJGQRECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-9-3-1-8(2-4-9)13(18)16-12-6-5-10(17)7-11(12)15/h1-7,17H,(H,16,18).
What are the key properties of 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide?
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide has a molecular weight of 310.12 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 64787655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).