5-bromo-2-(trifluoromethoxy)benzamide

C8H5BrF3NO2 — CID 155804273

IUPAC5-bromo-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-4-1-2-6(15-8(10,11)12)5(3-4)7(13)14/h1-3H,(H2,13,14)
InChIKeyQTHBCLWGUFWKTL-UHFFFAOYSA-N
MW284.03 g/mol
LogP2.45
Rot. Bonds2

About 5-bromo-2-(trifluoromethoxy)benzamide

5-bromo-2-(trifluoromethoxy)benzamide (PubChem CID 155804273) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethoxy)benzamide
PubChem CID155804273
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name5-bromo-2-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-4-1-2-6(15-8(10,11)12)5(3-4)7(13)14/h1-3H,(H2,13,14)
InChIKeyQTHBCLWGUFWKTL-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(trifluoromethoxy)phenyl]propan-1-one
CID 70699568
5-nitro-2-(trifluoromethoxy)benzamide
CID 131869132
4-bromo-2-(trifluoromethoxy)benzoic acid
CID 16665572
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
(5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970316
5-bromo-2-(2-hydroxyphenoxy)benzamide
CID 114895131
2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid
CID 68846463
4-sulfanyl-2-(trifluoromethoxy)benzamide
CID 170999331
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
2-amino-4-bromo-6-(trifluoromethoxy)benzamide
CID 119024469
2-amino-5-bromo-3-(trifluoromethoxy)benzoic acid
CID 131364248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethoxy)benzamide?
The IUPAC name of 5-bromo-2-(trifluoromethoxy)benzamide (CID 155804273) is 5-bromo-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for 5-bromo-2-(trifluoromethoxy)benzamide?
The canonical SMILES for 5-bromo-2-(trifluoromethoxy)benzamide is NC(=O)c1cc(Br)ccc1OC(F)(F)F.
What is the InChIKey of 5-bromo-2-(trifluoromethoxy)benzamide?
The InChIKey is QTHBCLWGUFWKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-4-1-2-6(15-8(10,11)12)5(3-4)7(13)14/h1-3H,(H2,13,14).
What are the key properties of 5-bromo-2-(trifluoromethoxy)benzamide?
5-bromo-2-(trifluoromethoxy)benzamide has a molecular weight of 284.03 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 155804273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).