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

C14H9BrF3NO — CID 875478

IUPACN-(3-bromophenyl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrF3NO/c15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(16,17)18/h1-8H,(H,19,20)
InChIKeyZBPCUFNGXOMZPF-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.72
Rot. Bonds2

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

N-(3-bromophenyl)-2-(trifluoromethyl)benzamide (PubChem CID 875478) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(trifluoromethyl)benzamide
PubChem CID875478
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC NameN-(3-bromophenyl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrF3NO/c15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(16,17)18/h1-8H,(H,19,20)
InChIKeyZBPCUFNGXOMZPF-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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-bromophenyl)-2-(trifluoromethyl)benzamide (CID 875478) is N-(3-bromophenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-(trifluoromethyl)benzamide is O=C(Nc1cccc(Br)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-bromophenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is ZBPCUFNGXOMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(16,17)18/h1-8H,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-(trifluoromethyl)benzamide?
N-(3-bromophenyl)-2-(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-(3-bromophenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 875478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).