[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite

C14H9BrF3NO2 — CID 150746432

IUPAC[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OBr
InChIInChI=1S/C14H9BrF3NO2/c15-21-12-7-2-1-6-11(12)13(20)19-10-5-3-4-9(8-10)14(16,17)18/h1-8H,(H,19,20)
InChIKeyJUYGAXRYHLIRQZ-UHFFFAOYSA-N
MW360.13 g/mol
LogP4.65
Rot. Bonds3

About [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite

[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite (PubChem CID 150746432) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite.

Molecular Properties

Compound Name[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
PubChem CID150746432
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC Name[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OBr
InChIInChI=1S/C14H9BrF3NO2/c15-21-12-7-2-1-6-11(12)13(20)19-10-5-3-4-9(8-10)14(16,17)18/h1-8H,(H,19,20)
InChIKeyJUYGAXRYHLIRQZ-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite?
The IUPAC name of [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite (CID 150746432) is [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite.
What is the SMILES notation for [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite?
The canonical SMILES for [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite is O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OBr.
What is the InChIKey of [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite?
The InChIKey is JUYGAXRYHLIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c15-21-12-7-2-1-6-11(12)13(20)19-10-5-3-4-9(8-10)14(16,17)18/h1-8H,(H,19,20).
What are the key properties of [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite?
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite has a molecular weight of 360.13 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite is sourced from PubChem (CID 150746432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).