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

C13H8BrF2NO2 — CID 64793128

IUPAC5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1F)c1cc(Br)ccc1F
InChIInChI=1S/C13H8BrF2NO2/c14-7-1-3-10(15)9(5-7)13(19)17-12-4-2-8(18)6-11(12)16/h1-6,18H,(H,17,19)
InChIKeyLBLKCJVOJSGRDK-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.69
Rot. Bonds2

About 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide

5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide (PubChem CID 64793128) has the molecular formula C13H8BrF2NO2 and a molecular weight of 328.11 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
PubChem CID64793128
Molecular FormulaC13H8BrF2NO2
Molecular Weight328.11 g/mol
Exact Mass326.97
IUPAC Name5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1F)c1cc(Br)ccc1F
InChIInChI=1S/C13H8BrF2NO2/c14-7-1-3-10(15)9(5-7)13(19)17-12-4-2-8(18)6-11(12)16/h1-6,18H,(H,17,19)
InChIKeyLBLKCJVOJSGRDK-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
5-bromo-N-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 2804653
4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674764
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
CID 89443501
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide (CID 64793128) is 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)cc1F)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide?
The InChIKey is LBLKCJVOJSGRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO2/c14-7-1-3-10(15)9(5-7)13(19)17-12-4-2-8(18)6-11(12)16/h1-6,18H,(H,17,19).
What are the key properties of 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide?
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide 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 5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 64793128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).