3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide

C14H9BrF3NO2 — CID 170460021

IUPAC3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(Br)cc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H9BrF3NO2/c15-11-5-9(4-10(6-11)13(19)20)8-2-1-3-12(7-8)21-14(16,17)18/h1-7H,(H2,19,20)
InChIKeyFONIAZIIWTVLGR-UHFFFAOYSA-N
MW360.13 g/mol
LogP4.11
Rot. Bonds3

About 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide

3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 170460021) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID170460021
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Name3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(Br)cc(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H9BrF3NO2/c15-11-5-9(4-10(6-11)13(19)20)8-2-1-3-12(7-8)21-14(16,17)18/h1-7H,(H2,19,20)
InChIKeyFONIAZIIWTVLGR-UHFFFAOYSA-N
XLogP4.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(3-methoxyphenyl)benzamide
CID 170460020
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 171367488
methyl 3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 75488260
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
ethyl 5-[3-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 175986732
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 171365458

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide (CID 170460021) is 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide is NC(=O)c1cc(Br)cc(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is FONIAZIIWTVLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c15-11-5-9(4-10(6-11)13(19)20)8-2-1-3-12(7-8)21-14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide?
3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 360.13 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 170460021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).