N-(2-bromophenyl)-3-(trifluoromethyl)benzamide

C14H9BrF3NO — CID 2561322

IUPACN-(2-bromophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF3NO/c15-11-6-1-2-7-12(11)19-13(20)9-4-3-5-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKeyWCKXXTPQBCARGX-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.72
Rot. Bonds2

About N-(2-bromophenyl)-3-(trifluoromethyl)benzamide

N-(2-bromophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 2561322) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(trifluoromethyl)benzamide
PubChem CID2561322
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC NameN-(2-bromophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccccc1Br)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF3NO/c15-11-6-1-2-7-12(11)19-13(20)9-4-3-5-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKeyWCKXXTPQBCARGX-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromophenyl)-3-(trifluoromethyl)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

N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
N-(2-bromophenyl)-3-iodobenzamide
CID 3258895
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-bromophenyl)-3-(trifluoromethyl)benzamide (CID 2561322) is N-(2-bromophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-bromophenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1ccccc1Br)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-bromophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is WCKXXTPQBCARGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-11-6-1-2-7-12(11)19-13(20)9-4-3-5-10(8-9)14(16,17)18/h1-8H,(H,19,20).
What are the key properties of N-(2-bromophenyl)-3-(trifluoromethyl)benzamide?
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 344.13 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2561322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).