2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide

C13H9BrFNO2 — CID 28739689

IUPAC2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(F)cc1Br
InChIInChI=1S/C13H9BrFNO2/c14-12-6-8(15)4-5-11(12)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,(H,16,18)
InChIKeyYOMVYAZBYGBJQU-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.55
Rot. Bonds2

About 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide

2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide (PubChem CID 28739689) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
PubChem CID28739689
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1ccc(F)cc1Br
InChIInChI=1S/C13H9BrFNO2/c14-12-6-8(15)4-5-11(12)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,(H,16,18)
InChIKeyYOMVYAZBYGBJQU-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

Analyze 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide
CID 53245435
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
CID 43175442
2-bromo-4-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292077
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
CID 106912100
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
4-bromo-N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 103926239
2-bromo-4-fluoro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide
CID 22829930
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide (CID 28739689) is 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide is O=C(Nc1cccc(O)c1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide?
The InChIKey is YOMVYAZBYGBJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-12-6-8(15)4-5-11(12)13(18)16-9-2-1-3-10(17)7-9/h1-7,17H,(H,16,18).
What are the key properties of 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide?
2-bromo-4-fluoro-N-(3-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 2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 28739689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).