3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide

C13H8BrF2NO — CID 103706269

IUPAC3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrF2NO/c14-11-6-8(4-5-12(11)16)13(18)17-10-3-1-2-9(15)7-10/h1-7H,(H,17,18)
InChIKeyRZZYUWCZWJTTBX-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.98
Rot. Bonds2

About 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide

3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide (PubChem CID 103706269) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
PubChem CID103706269
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrF2NO/c14-11-6-8(4-5-12(11)16)13(18)17-10-3-1-2-9(15)7-10/h1-7H,(H,17,18)
InChIKeyRZZYUWCZWJTTBX-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-4-fluoro-N-(3-fluorophenyl)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

3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide (CID 103706269) is 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide?
The InChIKey is RZZYUWCZWJTTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-11-6-8(4-5-12(11)16)13(18)17-10-3-1-2-9(15)7-10/h1-7H,(H,17,18).
What are the key properties of 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide?
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide has a molecular weight of 312.11 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 103706269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).