N-(4-bromophenyl)-3-(trifluoromethyl)benzamide

C14H9BrF3NO — CID 531810

IUPACN-(4-bromophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKeyJDUHFWWSDVISOZ-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.72
Rot. Bonds2

About N-(4-bromophenyl)-3-(trifluoromethyl)benzamide

N-(4-bromophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 531810) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(trifluoromethyl)benzamide
PubChem CID531810
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC NameN-(4-bromophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9BrF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20)
InChIKeyJDUHFWWSDVISOZ-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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Related Compounds

Benzanilide
CID 7168
Benzamide, N-(3-bromophenyl)-
CID 202396
4'-Bromo-2-chlorobenzanilide
CID 221829
Benzamide, 2-bromo-N-(4-bromophenyl)-
CID 603324
N-(4-iodophenyl)-4-(trifluoromethyl)benzamide
CID 1019468
N-(4-Fluorophenyl)benzamide
CID 242889
N-(3-methylphenyl)-3-(trifluoromethyl)benzamide
CID 531807
2-fluoro-N-(4-fluorophenyl)benzamide
CID 531933
Benzamide, N-(4-bromophenyl)-
CID 101357
3'-(Trifluoromethyl)benzanilide
CID 280160
N-(3,5-Bis(trifluoromethyl)phenyl)benzamide
CID 709322
4'-Bromo-4-methylbenzanilide
CID 531830

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-bromophenyl)-3-(trifluoromethyl)benzamide (CID 531810) is N-(4-bromophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-bromophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JDUHFWWSDVISOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-11-4-6-12(7-5-11)19-13(20)9-2-1-3-10(8-9)14(16,17)18/h1-8H,(H,19,20).
What are the key properties of N-(4-bromophenyl)-3-(trifluoromethyl)benzamide?
N-(4-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-(4-bromophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 531810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).